[(2,3-dimethoxyphenyl)methyl](methyl)amine hydrochloride

• ChemBase ID: 293182
• Molecular Formular: C10H16ClNO2
• Molecular Mass: 217.69254
• Monoisotopic Mass: 217.08695644
• SMILES: CNCc1cccc(OC)c1OC.Cl
• Canonical SMILES: CNCc1cccc(c1OC)OC.Cl
• InChI: InChI=1S/C10H15NO2.ClH/c1-11-7-8-5-4-6-9(12-2)10(8)13-3;/h4-6,11H,7H2,1-3H3;1H
• InChIKey: KBFAEGLXWFVYKT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [(2,3-dimethoxyphenyl)methyl](methyl)amine hydrochloride
• IUPAC Traditional name: [(2,3-dimethoxyphenyl)methyl](methyl)amine hydrochloride
• Synonyms: 1-(2,3-Dimethoxyphenyl)-N-methylmethanamine hydrochloride

Database IDs

• CAS Number: 1158741-90-2
• MDL Number: MFCD07108392
• PubChem SID: 180678713
• PubChem CID: 17292184

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -1.8052424
• LogD (pH = 7.4): -0.30947223
• Log P: 1.2162521
• Molar Refractivity: 52.2324 cm^3
• Polarizability: 20.569302 Å^3
• Polar Surface Area: 30.49 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%; 97%