(2-methoxyphenyl)(4-methoxyphenyl)methanamine hydrochloride

• ChemBase ID: 242529
• Molecular Formular: C15H18ClNO2
• Molecular Mass: 279.76192
• Monoisotopic Mass: 279.1026065
• SMILES: c1(C(c2ccc(cc2)OC)N)c(OC)cccc1.Cl
• Canonical SMILES: COc1ccc(cc1)C(c1ccccc1OC)N.Cl
• InChI: InChI=1S/C15H17NO2.ClH/c1-17-12-9-7-11(8-10-12)15(16)13-5-3-4-6-14(13)18-2;/h3-10,15H,16H2,1-2H3;1H
• InChIKey: PWIBPKKWIVYKRJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (2-methoxyphenyl)(4-methoxyphenyl)methanamine hydrochloride
• IUPAC Traditional name: (2-methoxyphenyl)(4-methoxyphenyl)methanamine hydrochloride
• Synonyms: (2-methoxyphenyl)(4-methoxyphenyl)methanamine hydrochloride

Database IDs

• MDL Number: MFCD22566062
• PubChem SID: 164298439
• PubChem CID: 71757037

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -0.15976459
• LogD (pH = 7.4): 1.4181938
• Log P: 2.5679119
• Molar Refractivity: 71.7406 cm^3
• Polarizability: 28.334366 Å^3
• Polar Surface Area: 44.48 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 229 - 231°C
• Hydrophobicity(logP): 2.28

Product Information

• Purity: 95%