2-(3,4-dimethoxyphenyl)propan-2-amine

• ChemBase ID: 307306
• Molecular Formular: C11H17NO2
• Molecular Mass: 195.25818
• Monoisotopic Mass: 195.12592879
• SMILES: c1(cc(c(cc1)OC)OC)C(N)(C)C
• Canonical SMILES: COc1cc(ccc1OC)C(N)(C)C
• InChI: InChI=1S/C11H17NO2/c1-11(2,12)8-5-6-9(13-3)10(7-8)14-4/h5-7H,12H2,1-4H3
• InChIKey: VKDPBFJRGWKCTN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(3,4-dimethoxyphenyl)propan-2-amine
• IUPAC Traditional name: 2-(3,4-dimethoxyphenyl)propan-2-amine
• Synonyms: 2-(3,4-dimethoxyphenyl)propan-2-amine

Database IDs

• CAS Number: 153002-39-2
• MDL Number: MFCD08059932

CALCULATED PROPERTIES

• Log P: 1.4808234
• Molar Refractivity: 56.5148 cm^3
• Polarizability: 22.411549 Å^3
• Polar Surface Area: 44.48 Å^2
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -1.5335351
• LogD (pH = 7.4): -0.89957047