ethyl(3-phenylpropyl)amine

• ChemBase ID: 307882
• Molecular Formular: C11H17N
• Molecular Mass: 163.25938
• Monoisotopic Mass: 163.13609955
• SMILES: N(CC)CCCc1ccccc1
• Canonical SMILES: CCNCCCc1ccccc1
• InChI: InChI=1S/C11H17N/c1-2-12-10-6-9-11-7-4-3-5-8-11/h3-5,7-8,12H,2,6,9-10H2,1H3
• InChIKey: LKGGWEZXOKZNML-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: ethyl(3-phenylpropyl)amine
• IUPAC Traditional name: ethyl(3-phenylpropyl)amine
• Synonyms: N-ethyl-3-phenylpropan-1-amine

Database IDs

• CAS Number: 13125-62-7
• MDL Number: MFCD08691705

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -0.6098757
• LogD (pH = 7.4): -0.15141894
• Log P: 2.6216326
• Molar Refractivity: 53.4106 cm^3
• Polarizability: 21.059462 Å^3
• Polar Surface Area: 12.03 Å^2