methyl[(4-phenylphenyl)methyl]amine hydrochloride

• ChemBase ID: 144166
• Molecular Formular: C14H16ClN
• Molecular Mass: 233.73654
• Monoisotopic Mass: 233.0971272
• SMILES: CNCc1ccc(cc1)c1ccccc1.Cl
• Canonical SMILES: CNCc1ccc(cc1)c1ccccc1.Cl
• InChI: InChI=1S/C14H15N.ClH/c1-15-11-12-7-9-14(10-8-12)13-5-3-2-4-6-13;/h2-10,15H,11H2,1H3;1H
• InChIKey: NHQQCXPAHDWNFJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: methyl[(4-phenylphenyl)methyl]amine hydrochloride
• IUPAC Traditional name: methyl[(4-phenylphenyl)methyl]amine hydrochloride
• Synonyms: (4-Biphenylylmethyl)methylamine hydrochloride

Database IDs

• MDL Number: MFCD07109767
• PubChem SID: 162238383
• PubChem CID: 17293487

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -0.01055325
• LogD (pH = 7.4): 0.9851795
• Log P: 3.17882
• Molar Refractivity: 64.4422 cm^3
• Polarizability: 26.709856 Å^3
• Polar Surface Area: 12.03 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Empirical Formula (Hill Notation): C14H16ClN

DETAILS

Sigma Aldrich - CBR00954

Other Notes
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Legal Information
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