[1-(2,4-dimethoxyphenyl)ethyl](methyl)amine

• ChemBase ID: 310646
• Molecular Formular: C11H17NO2
• Molecular Mass: 195.25818
• Monoisotopic Mass: 195.12592879
• SMILES: c1(c(cc(cc1)OC)OC)C(NC)C
• Canonical SMILES: CNC(c1ccc(cc1OC)OC)C
• InChI: InChI=1S/C11H17NO2/c1-8(12-2)10-6-5-9(13-3)7-11(10)14-4/h5-8,12H,1-4H3
• InChIKey: QOOWQASTOPJHKE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [1-(2,4-dimethoxyphenyl)ethyl](methyl)amine
• IUPAC Traditional name: [1-(2,4-dimethoxyphenyl)ethyl](methyl)amine
• Synonyms: 1-(2,4-dimethoxyphenyl)-N-methylethanamine

Database IDs

• CAS Number: 188894-37-3
• MDL Number: MFCD00558376

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -1.4357476
• LogD (pH = 7.4): -0.016448643
• Log P: 1.6328272
• Molar Refractivity: 56.6512 cm^3
• Polarizability: 22.410658 Å^3
• Polar Surface Area: 30.49 Å^2