(2-phenylethyl)(propan-2-yl)amine

• ChemBase ID: 307879
• Molecular Formular: C11H17N
• Molecular Mass: 163.25938
• Monoisotopic Mass: 163.13609955
• SMILES: N(CCc1ccccc1)C(C)C
• Canonical SMILES: CC(NCCc1ccccc1)C
• InChI: InChI=1S/C11H17N/c1-10(2)12-9-8-11-6-4-3-5-7-11/h3-7,10,12H,8-9H2,1-2H3
• InChIKey: HNPAEWJKFXEUDW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (2-phenylethyl)(propan-2-yl)amine
• IUPAC Traditional name: isopropyl(2-phenylethyl)amine
• Synonyms: N-(2-phenylethyl)propan-2-amine

Database IDs

• CAS Number: 52007-97-3
• MDL Number: MFCD08691704

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -0.6363035
• LogD (pH = 7.4): -0.13817774
• Log P: 2.593639
• Molar Refractivity: 53.2284 cm^3
• Polarizability: 21.058664 Å^3
• Polar Surface Area: 12.03 Å^2