Molecule ID: 25094769

IUPAC Name: 6-[4-[(2S)-2-(methylamino)propyl]phenyl]hexanoic acid

Description: The molecule is a monocarboxylic acid comprised of hexanoic acid substituted on C-6 by a 4-[(2S)-2-(methylamino)propyl]phenyl group. It has a role as a hapten. It is a monocarboxylic acid and a secondary amino compound. It derives from a methamphetamine and a hexanoic acid.

SMILES: CN[C@@H](C)Cc1ccc(CCCCCC(=O)O)cc1

SELFIES: [C][N][C@@H1][Branch1][C][C][C][C][=C][C][=C][Branch1][O][C][C][C][C][C][C][=Branch1][C][=O][O][C][=C][Ring1][=C]

InChI: InChI=1S/C16H25NO2/c1-13(17-2)12-15-10-8-14(9-11-15)6-4-3-5-7-16(18)19/h8-11,13,17H,3-7,12H2,1-2H3,(H,18,19)/t13-/m0/s1

Molecular Properties:
- Polar Surface Area: 49.3 Ų
- LogP: 1.1