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

• ChemBase ID: 24732
• Molecular Formular: C14H16ClN
• Molecular Mass: 233.73654
• Monoisotopic Mass: 233.0971272
• SMILES: c1(ccc(cc1)C(N)C)c1ccccc1.Cl
• Canonical SMILES: CC(c1ccc(cc1)c1ccccc1)N.Cl
• InChI: InChI=1S/C14H15N.ClH/c1-11(15)12-7-9-14(10-8-12)13-5-3-2-4-6-13;/h2-11H,15H2,1H3;1H
• InChIKey: KATCFWMBDRASHY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• MDL Number: MFCD09431469
• PubChem SID: 160988039
• PubChem CID: 13012106

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

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false