(3-methoxyphenyl)(phenyl)methanamine hydrochloride

• ChemBase ID: 18872
• Molecular Formular: C14H16ClNO
• Molecular Mass: 249.73594
• Monoisotopic Mass: 249.09204182
• SMILES: c1(C(c2ccccc2)N)cc(OC)ccc1.Cl
• Canonical SMILES: COc1cccc(c1)C(c1ccccc1)N.Cl
• InChI: InChI=1S/C14H15NO.ClH/c1-16-13-9-5-8-12(10-13)14(15)11-6-3-2-4-7-11;/h2-10,14H,15H2,1H3;1H
• InChIKey: QNGBTFXSTQFLRJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (3-methoxyphenyl)(phenyl)methanamine hydrochloride
• IUPAC Traditional name: (3-methoxyphenyl)(phenyl)methanamine hydrochloride
• Synonyms: C-(3-Methoxy-phenyl)-C-phenyl-methylamine hydrochloride

Database IDs

• MDL Number: MFCD08448125
• PubChem SID: 160982179
• PubChem CID: 45075191

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -0.1748905
• LogD (pH = 7.4): 1.1496627
• Log P: 2.725583
• Molar Refractivity: 65.2774 cm^3
• Polarizability: 25.850662 Å^3
• Polar Surface Area: 35.25 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false