[(2,5-dimethoxyphenyl)methyl](methyl)amine hydrochloride

• ChemBase ID: 270859
• Molecular Formular: C10H16ClNO2
• Molecular Mass: 217.69254
• Monoisotopic Mass: 217.08695644
• SMILES: c1(c(ccc(c1)OC)OC)CNC.Cl
• Canonical SMILES: CNCc1cc(OC)ccc1OC.Cl
• InChI: InChI=1S/C10H15NO2.ClH/c1-11-7-8-6-9(12-2)4-5-10(8)13-3;/h4-6,11H,7H2,1-3H3;1H
• InChIKey: ITTLMAVMJGRYPB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [(2,5-dimethoxyphenyl)methyl](methyl)amine hydrochloride
• IUPAC Traditional name: [(2,5-dimethoxyphenyl)methyl](methyl)amine hydrochloride
• Synonyms: [(2,5-dimethoxyphenyl)methyl](methyl)amine hydrochloride

Database IDs

• MDL Number: MFCD15201659
• PubChem SID: 164326769
• PubChem CID: 50988528

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -1.7943091
• LogD (pH = 7.4): -0.28380942
• Log P: 1.2162521
• Molar Refractivity: 52.2324 cm^3
• Polarizability: 20.566826 Å^3
• Polar Surface Area: 30.49 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 125 - 127°C
• Hydrophobicity(logP): 1.518

Product Information

• Purity: 95%