benzyl[(1R)-1-phenylethyl]amine

• ChemBase ID: 795875
• Molecular Formular: C15H17N
• Molecular Mass: 211.30218
• Monoisotopic Mass: 211.13609955
• SMILES: N(Cc1ccccc1)[C@H](C)c1ccccc1
• Canonical SMILES: C[C@H](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/t13-/m1/s1
• InChIKey: ZYZHMSJNPCYUTB-CYBMUJFWSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: benzyl[(1R)-1-phenylethyl]amine
• IUPAC Traditional name: benzyl[(1R)-1-phenylethyl]amine
• Synonyms: ((1R)-1-Phenylethyl)benzylaMine

Database IDs

• CAS Number: 38235-77-7

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

Product Information

• Purity: 98%