({4-[(2-chlorophenyl)methoxy]-3,5-dimethylphenyl}methyl)(methyl)amine hydrochloride

• ChemBase ID: 275475
• Molecular Formular: C17H21Cl2NO
• Molecular Mass: 326.26074
• Monoisotopic Mass: 325.10001966
• SMILES: c1(c(cc(cc1C)CNC)C)OCc1c(Cl)cccc1.Cl
• Canonical SMILES: CNCc1cc(C)c(c(c1)C)OCc1ccccc1Cl.Cl
• InChI: InChI=1S/C17H20ClNO.ClH/c1-12-8-14(10-19-3)9-13(2)17(12)20-11-15-6-4-5-7-16(15)18;/h4-9,19H,10-11H2,1-3H3;1H
• InChIKey: VZGLPMQUUFDJHX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: ({4-[(2-chlorophenyl)methoxy]-3,5-dimethylphenyl}methyl)(methyl)amine hydrochloride
• IUPAC Traditional name: ({4-[(2-chlorophenyl)methoxy]-3,5-dimethylphenyl}methyl)(methyl)amine hydrochloride
• Synonyms: ({4-[(2-chlorophenyl)methoxy]-3,5-dimethylphenyl}methyl)(methyl)amine hydrochloride

Database IDs

• MDL Number: MFCD18917367
• PubChem SID: 164331385
• PubChem CID: 53529328

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 1.5354484
• LogD (pH = 7.4): 2.4989126
• Log P: 4.729284
• Molar Refractivity: 85.269 cm^3
• Polarizability: 33.04801 Å^3
• Polar Surface Area: 21.26 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 169 - 171°C
• Hydrophobicity(logP): 4.908

Product Information

• Purity: 95%