({3,5-dimethyl-4-[(2-methylphenyl)methoxy]phenyl}methyl)(methyl)amine hydrochloride

• ChemBase ID: 275460
• Molecular Formular: C18H24ClNO
• Molecular Mass: 305.84226
• Monoisotopic Mass: 305.15464207
• SMILES: c1(c(cc(cc1C)CNC)C)OCc1c(C)cccc1.Cl
• Canonical SMILES: CNCc1cc(C)c(c(c1)C)OCc1ccccc1C.Cl
• InChI: InChI=1S/C18H23NO.ClH/c1-13-7-5-6-8-17(13)12-20-18-14(2)9-16(11-19-4)10-15(18)3;/h5-10,19H,11-12H2,1-4H3;1H
• InChIKey: YOBLJIALZLAJLB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• MDL Number: MFCD18917363
• PubChem SID: 164331370
• PubChem CID: 53529193

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 1.4448228
• LogD (pH = 7.4): 2.4082685
• Log P: 4.6386604
• Molar Refractivity: 85.5054 cm^3
• Polarizability: 32.997643 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): 4.644

Product Information

• Purity: 95%