[3-(4-methylphenyl)phenyl]methanamine hydrochloride

• ChemBase ID: 237824
• Molecular Formular: C14H16ClN
• Molecular Mass: 233.73654
• Monoisotopic Mass: 233.0971272
• SMILES: c1(c2ccc(cc2)C)cc(CN)ccc1.Cl
• Canonical SMILES: NCc1cccc(c1)c1ccc(cc1)C.Cl
• InChI: InChI=1S/C14H15N.ClH/c1-11-5-7-13(8-6-11)14-4-2-3-12(9-14)10-15;/h2-9H,10,15H2,1H3;1H
• InChIKey: FUIIDSOMLMNKJR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [3-(4-methylphenyl)phenyl]methanamine hydrochloride
• IUPAC Traditional name: [3-(4-methylphenyl)phenyl]methanamine hydrochloride
• Synonyms: [3-(4-methylphenyl)phenyl]methanamine hydrochloride

Database IDs

• MDL Number: MFCD22375273
• PubChem SID: 164293734
• PubChem CID: 71756016

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 0.2754067
• LogD (pH = 7.4): 1.2426567
• Log P: 3.259661
• Molar Refractivity: 64.7088 cm^3
• Polarizability: 26.62347 Å^3
• Polar Surface Area: 26.02 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 3.481

Product Information

• Purity: 95%