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

• ChemBase ID: 273061
• Molecular Formular: C16H20ClNO3
• Molecular Mass: 309.7879
• Monoisotopic Mass: 309.11317119
• SMILES: c1(c(cc(cc1)OC)OC)C(c1ccc(cc1)OC)N.Cl
• Canonical SMILES: COc1ccc(cc1)C(c1ccc(cc1OC)OC)N.Cl
• InChI: InChI=1S/C16H19NO3.ClH/c1-18-12-6-4-11(5-7-12)16(17)14-9-8-13(19-2)10-15(14)20-3;/h4-10,16H,17H2,1-3H3;1H
• InChIKey: VAXMTYJIIVLKMJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• MDL Number: MFCD18785459
• PubChem SID: 164328971
• PubChem CID: 54592740

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): -0.31384778
• LogD (pH = 7.4): 1.2670202
• Log P: 2.4102407
• Molar Refractivity: 78.2038 cm^3
• Polarizability: 30.835949 Å^3
• Polar Surface Area: 53.71 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 165 - 167°C
• Hydrophobicity(logP): 2.369

Product Information

• Purity: 95%