(4-methoxyphenyl)(4-methylphenyl)methanamine hydrochloride

• ChemBase ID: 263571
• Molecular Formular: C15H18ClNO
• Molecular Mass: 263.76252
• Monoisotopic Mass: 263.10769188
• SMILES: C(c1ccc(cc1)OC)(c1ccc(cc1)C)N.Cl
• Canonical SMILES: COc1ccc(cc1)C(c1ccc(cc1)C)N.Cl
• InChI: InChI=1S/C15H17NO.ClH/c1-11-3-5-12(6-4-11)15(16)13-7-9-14(17-2)10-8-13;/h3-10,15H,16H2,1-2H3;1H
• InChIKey: CYCQTWANOVNFNN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (4-methoxyphenyl)(4-methylphenyl)methanamine hydrochloride
• IUPAC Traditional name: (4-methoxyphenyl)(4-methylphenyl)methanamine hydrochloride
• Synonyms: (4-methoxyphenyl)(4-methylphenyl)methanamine hydrochloride

Database IDs

• MDL Number: MFCD08276233
• PubChem SID: 164319481
• PubChem CID: 45792376

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 0.3140733
• LogD (pH = 7.4): 1.5679339
• Log P: 3.2390046
• Molar Refractivity: 70.3186 cm^3
• Polarizability: 27.61643 Å^3
• Polar Surface Area: 35.25 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 249 - 251°C
• Hydrophobicity(logP): 2.86

Product Information

• Purity: 95%