Molecule ID: 16760588

IUPAC Name: 4-methyl-1-N-(3-phenylpropyl)benzene-1,2-diamine

Description: The molecule is a diamine that is 1,2-phenylenediamine carrying a methyl substituent at position 4 and a 3-phenylpropyl substituent at position N1. It has a role as a NF-kappaB inhibitor. It is a diamine and a substituted aniline. It derives from a 1,2-phenylenediamine.

SMILES: Cc1ccc(NCCCc2ccccc2)c(N)c1

SELFIES: [C][C][=C][C][=C][Branch1][=N][N][C][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Branch1][C][N][=C][Ring1][P]

InChI: InChI=1S/C16H20N2/c1-13-9-10-16(15(17)12-13)18-11-5-8-14-6-3-2-4-7-14/h2-4,6-7,9-10,12,18H,5,8,11,17H2,1H3

Molecular Properties:
- Polar Surface Area: 38.0 Ų
- LogP: 3.9