(1-phenylethyl)(propyl)amine

• ChemBase ID: 311644
• Molecular Formular: C11H17N
• Molecular Mass: 163.25938
• Monoisotopic Mass: 163.13609955
• SMILES: c1(C(NCCC)C)ccccc1
• Canonical SMILES: CCCNC(c1ccccc1)C
• InChI: InChI=1S/C11H17N/c1-3-9-12-10(2)11-7-5-4-6-8-11/h4-8,10,12H,3,9H2,1-2H3
• InChIKey: MQOWUQJOBIHPPR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (1-phenylethyl)(propyl)amine
• IUPAC Traditional name: (1-phenylethyl)(propyl)amine
• Synonyms: (1-phenylethyl)propylamine

Database IDs

• CAS Number: 66896-60-4
• MDL Number: MFCD03210937

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -0.39150408
• LogD (pH = 7.4): 0.31081074
• Log P: 2.8275
• Molar Refractivity: 52.9974 cm^3
• Polarizability: 21.137407 Å^3
• Polar Surface Area: 12.03 Å^2