[(4,5-dimethoxy-2-methylphenyl)methyl](methyl)amine

• ChemBase ID: 248779
• Molecular Formular: C11H17NO2
• Molecular Mass: 195.25818
• Monoisotopic Mass: 195.12592879
• SMILES: c1(c(cc(c(c1)CNC)C)OC)OC
• Canonical SMILES: CNCc1cc(OC)c(cc1C)OC
• InChI: InChI=1S/C11H17NO2/c1-8-5-10(13-3)11(14-4)6-9(8)7-12-2/h5-6,12H,7H2,1-4H3
• InChIKey: VLOLJNKZQYLVIB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [(4,5-dimethoxy-2-methylphenyl)methyl](methyl)amine
• IUPAC Traditional name: [(4,5-dimethoxy-2-methylphenyl)methyl](methyl)amine
• Synonyms: N-(4,5-dimethoxy-2-methylbenzyl)-N-methylamine

Database IDs

• MDL Number: MFCD06655573
• PubChem SID: 164304689
• PubChem CID: 4962139

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -1.4400982
• LogD (pH = 7.4): -0.32875684
• Log P: 1.7296735
• Molar Refractivity: 57.2736 cm^3
• Polarizability: 22.334208 Å^3
• Polar Surface Area: 30.49 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 180 - 182°C
• Hydrophobicity(logP): 1.617

Product Information

• Purity: 95%