Molecule ID: 1001

IUPAC Name: 2-phenylethanamine

Description: The molecule is a phenylethylamine having the phenyl substituent at the 2-position. It has a role as a human metabolite, an Escherichia coli metabolite and a mouse metabolite. It is a phenylethylamine, an aralkylamine and an alkaloid. It is a conjugate base of a 2-phenylethanaminium.

SMILES: NCCc1ccccc1

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

InChI: InChI=1S/C8H11N/c9-7-6-8-4-2-1-3-5-8/h1-5H,6-7,9H2

Molecular Properties:
- Polar Surface Area: 26.0 Ų
- LogP: 1.4