(1R)-1-(4-phenylphenyl)ethan-1-amine

• ChemBase ID: 280601
• Molecular Formular: C14H15N
• Molecular Mass: 197.2756
• Monoisotopic Mass: 197.12044949
• SMILES: c1(ccc(cc1)[C@H](N)C)c1ccccc1
• Canonical SMILES: C[C@H](c1ccc(cc1)c1ccccc1)N
• InChI: InChI=1S/C14H15N/c1-11(15)12-7-9-14(10-8-12)13-5-3-2-4-6-13/h2-11H,15H2,1H3/t11-/m1/s1
• InChIKey: QVLZRPPCCDKMPO-LLVKDONJSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (1R)-1-(4-phenylphenyl)ethan-1-amine
• IUPAC Traditional name: (1R)-1-(4-phenylphenyl)ethanamine
• Synonyms: (1R)-1-(1,1'-biphenyl-4-yl)ethanamine

Database IDs

• MDL Number: MFCD08057370
• PubChem SID: 180666132
• PubChem CID: 2512435

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 0.15777314
• LogD (pH = 7.4): 0.9275906
• Log P: 3.1628146
• Molar Refractivity: 64.0864 cm^3
• Polarizability: 26.709408 Å^3
• Polar Surface Area: 26.02 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 3.291

Product Information

• Purity: 95%