benzyl(1-phenylethyl)amine

• ChemBase ID: 255592
• Molecular Formular: C15H17N
• Molecular Mass: 211.30218
• Monoisotopic Mass: 211.13609955
• SMILES: N(C(c1ccccc1)C)Cc1ccccc1
• Canonical SMILES: CC(c1ccccc1)NCc1ccccc1
• InChI: InChI=1S/C15H17N/c1-13(15-10-6-3-7-11-15)16-12-14-8-4-2-5-9-14/h2-11,13,16H,12H2,1H3
• InChIKey: ZYZHMSJNPCYUTB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• MDL Number: MFCD00078747
• PubChem SID: 164311502
• PubChem CID: 519427

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 0.55898386
• LogD (pH = 7.4): 1.8762265
• Log P: 3.6726427
• Molar Refractivity: 68.3374 cm^3
• Polarizability: 27.088657 Å^3
• Polar Surface Area: 12.03 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 106 - 109°C
• Hydrophobicity(logP): 2.977

Product Information

• Purity: 95%