(2-methoxyphenyl)(phenyl)methanamine hydrochloride

• ChemBase ID: 18667
• Molecular Formular: C14H16ClNO
• Molecular Mass: 249.73594
• Monoisotopic Mass: 249.09204182
• SMILES: c1ccc(cc1)C(c1c(cccc1)OC)N.Cl
• Canonical SMILES: COc1ccccc1C(c1ccccc1)N.Cl
• InChI: InChI=1S/C14H15NO.ClH/c1-16-13-10-6-5-9-12(13)14(15)11-7-3-2-4-8-11;/h2-10,14H,15H2,1H3;1H
• InChIKey: GQEJMTFEMHYJCO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (2-methoxyphenyl)(phenyl)methanamine hydrochloride
• IUPAC Traditional name: (2-methoxyphenyl)(phenyl)methanamine hydrochloride
• Synonyms: (2-methoxyphenyl)(phenyl)methanamine hydrochloride; C-(2-Methoxy-phenyl)-C-phenyl-methylamine hydrochloride

Database IDs

• CAS Number: 5267-45-8
• MDL Number: MFCD08688096
• PubChem SID: 160981974
• PubChem CID: 368853

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -0.006575882
• LogD (pH = 7.4): 1.5676645
• Log P: 2.725583
• Molar Refractivity: 65.2774 cm^3
• Polarizability: 25.850912 Å^3
• Polar Surface Area: 35.25 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 252 - 254°C
• Hydrophobicity(logP): 2.361

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: 95%