Molecule ID: 7464

IUPAC Name: 4-propan-2-ylaniline

Description: The molecule is a substituted aniline carrying an isopropyl group at position 4. It is a metabolite of isoproturon. It has a role as a bacterial xenobiotic metabolite and a marine xenobiotic metabolite.

SMILES: CC(C)c1ccc(N)cc1

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

InChI: InChI=1S/C9H13N/c1-7(2)8-3-5-9(10)6-4-8/h3-7H,10H2,1-2H3

Molecular Properties:
- Polar Surface Area: 26.0 Ų
- LogP: 2.2