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Murcko scaffold

N-Phenyl-1,3-benzodioxole-5-methanamine scaffold

40 chemicals on CompoundList share this ring system.

Rings
3
Scaffold atoms
17
Chemicals
40
With full pages
8
Scaffold SMILES

c1ccc(NCc2ccc3c(c2)OCO3)cc1

A Bemis-Murcko scaffold is what remains of a molecule when every side chain is removed: the rings and the chains that link them. Chemicals that share a scaffold often belong to the same compound series, which helps when you look for analogues, alternative suppliers or related building blocks.

Substructure search with this scaffoldOpen the N-Phenyl-1,3-benzodioxole-5-methanamine page
Murcko scaffold c1ccc(NCc2ccc3c(c2)OCO3)cc1

Computed from the structures of the chemicals listed here. Stereo and charges are removed before the scaffold is taken.

Chemicals with this scaffold

Open one to see its structure, properties and suppliers.

Showing 1 to 40 of 40 chemicals

1,3-Benzodioxole-5-methanamine, N-(4,5-dimethoxy-2-nitrophenyl)- chemical structure, C16H16N2O6, CAS 53493-61-1
1,3-Benzodioxole-5-methanamine, N-(4,5-dimethoxy-2-nitrophenyl)-
CAS 53493-61-1C16H16N2O6
N-(4-Ethoxyphenyl)-alpha-(trichloromethyl)-1,3-benzodioxole-5-methanamine chemical structure, C17H16Cl3NO3, CAS 38766-77-7
N-(4-Ethoxyphenyl)-alpha-(trichloromethyl)-1,3-benzodioxole-5-methanamine
CAS 38766-77-7C17H16Cl3NO3
N-Phenyl-1,3-benzodioxole-5-methanamine chemical structure, C14H13NO2, CAS 3526-42-9
N-Phenyl-1,3-benzodioxole-5-methanamine
CAS 3526-42-9C14H13NO2
N-(Benzo[d][1,3]dioxol-5-ylmethyl)-4-methylaniline chemical structure, C15H15NO2, CAS 260060-29-5
N-(Benzo[d][1,3]dioxol-5-ylmethyl)-4-methylaniline
CAS 260060-29-5C15H15NO2
N-[(6-Bromo-1,3-benzodioxol-5-yl)methyl]-2,4-difluoroaniline chemical structure, C14H10BrF2NO2, CAS 301193-44-2
N-[(6-Bromo-1,3-benzodioxol-5-yl)methyl]-2,4-difluoroaniline
CAS 301193-44-2C14H10BrF2NO2
2,4-Difluoro-N-[(6-nitro-1,3-benzodioxol-5-yl)methyl]aniline chemical structure, C14H10F2N2O4, CAS 329699-36-7
2,4-Difluoro-N-[(6-nitro-1,3-benzodioxol-5-yl)methyl]aniline
CAS 329699-36-7C14H10F2N2O4
N-(1,3-Benzodioxol-5-ylmethyl)-3-nitroaniline chemical structure, C14H12N2O4, CAS 191595-08-1
N-(1,3-Benzodioxol-5-ylmethyl)-3-nitroaniline
CAS 191595-08-1C14H12N2O4
4-(tert-Butyl)-N-[(6-nitro-1,3-benzodioxol-5-yl)methyl]aniline chemical structure, C18H20N2O4, CAS 306730-49-4
4-(tert-Butyl)-N-[(6-nitro-1,3-benzodioxol-5-yl)methyl]aniline
CAS 306730-49-4C18H20N2O4
2,3-Dichloro-N-[(6-nitro-1,3-benzodioxol-5-yl)methyl]aniline chemical structure, C14H10Cl2N2O4, CAS 306730-53-0
2,3-Dichloro-N-[(6-nitro-1,3-benzodioxol-5-yl)methyl]aniline
CAS 306730-53-0C14H10Cl2N2O4
N-(1,3-Benzodioxol-5-ylmethyl)-4-bromo-3-methylaniline chemical structure, C15H14BrNO2, CAS 329058-81-3
N-(1,3-Benzodioxol-5-ylmethyl)-4-bromo-3-methylaniline
CAS 329058-81-3C15H14BrNO2
N-(1,3-Benzodioxol-5-ylmethyl)-4-bromo-2-methylaniline chemical structure, C15H14BrNO2, CAS 337489-12-0
N-(1,3-Benzodioxol-5-ylmethyl)-4-bromo-2-methylaniline
CAS 337489-12-0C15H14BrNO2
N-(1,3-Benzodioxol-5-ylmethyl)-3-chloro-4-methoxyaniline chemical structure, C15H14ClNO3, CAS 496807-84-2
N-(1,3-Benzodioxol-5-ylmethyl)-3-chloro-4-methoxyaniline
CAS 496807-84-2C15H14ClNO3
N-(1,3-Benzodioxol-5-ylmethyl)-3-methylaniline chemical structure, C15H15NO2, CAS 355395-63-0
N-(1,3-Benzodioxol-5-ylmethyl)-3-methylaniline
CAS 355395-63-0C15H15NO2
4-[(1,3-Benzodioxol-5-ylmethyl)amino]benzoic acid chemical structure, C15H13NO4, CAS 69671-78-9
4-[(1,3-Benzodioxol-5-ylmethyl)amino]benzoic acid
CAS 69671-78-9C15H13NO4
N-[(7-Methoxy-1,3-benzodioxol-5-yl)methyl]aniline chemical structure, C15H15NO3, CAS 355820-45-0
N-[(7-Methoxy-1,3-benzodioxol-5-yl)methyl]aniline
CAS 355820-45-0C15H15NO3
N-[(7-Methoxy-1,3-benzodioxol-5-yl)methyl]-3,5-dimethylaniline chemical structure, C17H19NO3, CAS 355816-58-9
N-[(7-Methoxy-1,3-benzodioxol-5-yl)methyl]-3,5-dimethylaniline
CAS 355816-58-9C17H19NO3
N-(1,3-Benzodioxol-5-ylmethyl)-3-chloro-4-fluoroaniline chemical structure, C14H11ClFNO2, CAS 861435-36-1
N-(1,3-Benzodioxol-5-ylmethyl)-3-chloro-4-fluoroaniline
CAS 861435-36-1C14H11ClFNO2
4-Fluoro-2-methyl-N-[(6-nitro-1,3-benzodioxol-5-yl)methyl]aniline chemical structure, C15H13FN2O4, CAS 5568-04-7
4-Fluoro-2-methyl-N-[(6-nitro-1,3-benzodioxol-5-yl)methyl]aniline
CAS 5568-04-7C15H13FN2O4
N-(1,3-Benzodioxol-5-ylmethyl)-3,4-dichloroaniline chemical structure, C14H11Cl2NO2, CAS 341008-42-2
N-(1,3-Benzodioxol-5-ylmethyl)-3,4-dichloroaniline
CAS 341008-42-2C14H11Cl2NO2
N-(1,3-Benzodioxol-5-ylmethyl)-4-chloroaniline chemical structure, C14H12ClNO2, CAS 79185-47-0
N-(1,3-Benzodioxol-5-ylmethyl)-4-chloroaniline
CAS 79185-47-0C14H12ClNO2
Benzo[1,3]dioxol-5-ylmethyl-(4-methoxy-phenyl)-amine chemical structure, C15H15NO3, CAS 97618-62-7
Benzo[1,3]dioxol-5-ylmethyl-(4-methoxy-phenyl)-amine
CAS 97618-62-7C15H15NO3
1-(1,3-Benzodioxol-5-ylmethyl)-1-(4-fluorophenyl)-3-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)urea chemical structure, C19H15F7N2O3, CAS 339359-92-1
1-(1,3-Benzodioxol-5-ylmethyl)-1-(4-fluorophenyl)-3-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)urea
CAS 339359-92-1C19H15F7N2O3
N-(2H-1,3-Benzodioxol-5-ylmethyl)-4-fluoroaniline chemical structure, C14H12FNO2, CAS 202599-73-3
N-(2H-1,3-Benzodioxol-5-ylmethyl)-4-fluoroaniline
CAS 202599-73-3C14H12FNO2
N-(1,3-Benzodioxol-5-ylmethyl)-2-methyl-4-nitroaniline chemical structure, C15H14N2O4, CAS 331964-92-2
N-(1,3-Benzodioxol-5-ylmethyl)-2-methyl-4-nitroaniline
CAS 331964-92-2C15H14N2O4