(2-phenylphenyl)methanamine hydrochloride

• ChemBase ID: 76080
• Molecular Formular: C13H14ClN
• Molecular Mass: 219.70996
• Monoisotopic Mass: 219.08147713
• SMILES: NCc1ccccc1c1ccccc1.Cl
• Canonical SMILES: NCc1ccccc1c1ccccc1.Cl
• InChI: InChI=1S/C13H13N.ClH/c14-10-12-8-4-5-9-13(12)11-6-2-1-3-7-11;/h1-9H,10,14H2;1H
• InChIKey: QLAUXYZNTQYBJG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (2-phenylphenyl)methanamine hydrochloride
• IUPAC Traditional name: (2-phenylphenyl)methanamine hydrochloride
• Synonyms: 2-phenylbenzylamine hydrochloride

Database IDs

• CAS Number: 1924-77-2
• MDL Number: MFCD08445570
• PubChem SID: 162040998
• PubChem CID: 17749830

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -0.25653842
• LogD (pH = 7.4): 0.5403224
• Log P: 2.7462397
• Molar Refractivity: 59.6676 cm^3
• Polarizability: 24.867964 Å^3
• Polar Surface Area: 26.02 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true