[(2,4-dimethoxyphenyl)methyl](methyl)amine hydrochloride

• ChemBase ID: 262971
• Molecular Formular: C10H16ClNO2
• Molecular Mass: 217.69254
• Monoisotopic Mass: 217.08695644
• SMILES: c1(c(ccc(c1)OC)CNC)OC.Cl
• Canonical SMILES: CNCc1ccc(cc1OC)OC.Cl
• InChI: InChI=1S/C10H15NO2.ClH/c1-11-7-8-4-5-9(12-2)6-10(8)13-3;/h4-6,11H,7H2,1-3H3;1H
• InChIKey: OOSCXCWPGQJADO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [(2,4-dimethoxyphenyl)methyl](methyl)amine hydrochloride
• IUPAC Traditional name: [(2,4-dimethoxyphenyl)methyl](methyl)amine hydrochloride
• Synonyms: [(2,4-dimethoxyphenyl)methyl](methyl)amine hydrochloride

Database IDs

• MDL Number: MFCD07109766
• PubChem SID: 164318881
• PubChem CID: 17293486

CALCULATED PROPERTIES

• H Donor: 1
• LogD (pH = 5.5): -1.8235916
• LogD (pH = 7.4): -0.3548725
• Log P: 1.2162521
• Molar Refractivity: 52.2324 cm^3
• Polarizability: 20.567747 Å^3
• Polar Surface Area: 30.49 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true
• H Acceptors: 3

PROPERTIES

Physical Property

• Melting Point: 148 - 150°C
• Hydrophobicity(logP): 1.518

Product Information

• Purity: 95%