bis(4-methoxyphenyl)methanamine hydrochloride

• ChemBase ID: 257011
• Molecular Formular: C15H18ClNO2
• Molecular Mass: 279.76192
• Monoisotopic Mass: 279.1026065
• SMILES: C(c1ccc(cc1)OC)(c1ccc(cc1)OC)N.Cl
• Canonical SMILES: COc1ccc(cc1)C(c1ccc(cc1)OC)N.Cl
• InChI: InChI=1S/C15H17NO2.ClH/c1-17-13-7-3-11(4-8-13)15(16)12-5-9-14(18-2)10-6-12;/h3-10,15H,16H2,1-2H3;1H
• InChIKey: VUYJSDIFRBOLNX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: bis(4-methoxyphenyl)methanamine hydrochloride
• IUPAC Traditional name: bis(4-methoxyphenyl)methanamine hydrochloride
• Synonyms: 1,1-bis(4-methoxyphenyl)methanamine hydrochloride

Database IDs

• MDL Number: MFCD09037230
• PubChem SID: 164312921
• PubChem CID: 42919080

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -0.34681034
• LogD (pH = 7.4): 0.93858254
• Log P: 2.5679119
• Molar Refractivity: 71.7406 cm^3
• Polarizability: 28.334082 Å^3
• Polar Surface Area: 44.48 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 222 - 224°C
• Hydrophobicity(logP): 2.28

Product Information

• Purity: 95%