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

• ChemBase ID: 275384
• Molecular Formular: C19H26ClNO
• Molecular Mass: 319.86884
• Monoisotopic Mass: 319.17029214
• SMILES: c1(c(cc(cc1C)CNCC)C)OCc1cc(ccc1)C.Cl
• Canonical SMILES: CCNCc1cc(C)c(c(c1)C)OCc1cccc(c1)C.Cl
• InChI: InChI=1S/C19H25NO.ClH/c1-5-20-12-18-10-15(3)19(16(4)11-18)21-13-17-8-6-7-14(2)9-17;/h6-11,20H,5,12-13H2,1-4H3;1H
• InChIKey: YMERGDUAHPBKID-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• MDL Number: MFCD18917340
• PubChem SID: 164331294
• PubChem CID: 53529087

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 1.7936878
• LogD (pH = 7.4): 2.6918826
• Log P: 4.9954686
• Molar Refractivity: 90.254 cm^3
• Polarizability: 34.84417 Å^3
• Polar Surface Area: 21.26 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 197 - 199°C
• Hydrophobicity(logP): 5.223

Product Information

• Purity: 95%