Molecule ID: 1433

IUPAC Name: N'-[[3-(aminomethyl)phenyl]methyl]ethanimidamide

Description: The molecule is an aralkylamine that is Nbenzylacetamidine substituted at position 3 on the benzene ring by an aminomethyl group. An inhibitor of nitric oxide synthase. It has a role as an EC 1.14.13.39 (nitric oxide synthase) inhibitor. It is a carboxamidine, an aralkylamine and a primary amino compound.

SMILES: CC(=N)NCc1cccc(CN)c1

SELFIES: [C][C][=Branch1][C][=N][N][C][C][=C][C][=C][C][Branch1][Ring1][C][N][=C][Ring1][Branch2]

InChI: InChI=1S/C10H15N3/c1-8(12)13-7-10-4-2-3-9(5-10)6-11/h2-5H,6-7,11H2,1H3,(H2,12,13)

Molecular Properties:
- Polar Surface Area: 64.4 Ų
- LogP: -0.2