Molecule ID: 121596246

IUPAC Name: 1-(2-aminophenyl)decane-1,3-dione

Description: The molecule is an aromatic ketone that is 1-(2-aminophenyl)decane carrying two oxo substituents at positions 1 and 3. It is a beta-diketone, an aromatic ketone and a substituted aniline.

SMILES: CCCCCCCC(=O)CC(=O)c1ccccc1N

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

InChI: InChI=1S/C16H23NO2/c1-2-3-4-5-6-9-13(18)12-16(19)14-10-7-8-11-15(14)17/h7-8,10-11H,2-6,9,12,17H2,1H3

Molecular Properties:
- Polar Surface Area: 60.2 Ų
- LogP: 4.3