[1-(3,4-dimethoxyphenyl)propan-2-yl](methyl)amine

• ChemBase ID: 127071
• Molecular Formular: C12H19NO2
• Molecular Mass: 209.28476
• Monoisotopic Mass: 209.14157885
• SMILES: COc1cc(CC(C)NC)ccc1OC
• Canonical SMILES: CNC(Cc1ccc(c(c1)OC)OC)C
• InChI: InChI=1S/C12H19NO2/c1-9(13-2)7-10-5-6-11(14-3)12(8-10)15-4/h5-6,8-9,13H,7H2,1-4H3
• InChIKey: BUWHCARWGYFQPE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [1-(3,4-dimethoxyphenyl)propan-2-yl](methyl)amine
• IUPAC Traditional name: dimethoxymethamphetamine
• Synonyms: Dimethoxymethamphetamine

Database IDs

• PubChem SID: 162221394
• PubChem CID: 12235308
• Wikipedia Title: Dimethoxymethamphetamine

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -1.3040714
• LogD (pH = 7.4): -0.71164954
• Log P: 1.9214883
• Molar Refractivity: 61.4062 cm^3
• Polarizability: 24.180483 Å^3
• Polar Surface Area: 30.49 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true