1-(3,4-dimethoxyphenyl)propan-1-amine

• ChemBase ID: 308653
• Molecular Formular: C11H17NO2
• Molecular Mass: 195.25818
• Monoisotopic Mass: 195.12592879
• SMILES: c1c(ccc(c1OC)OC)C(N)CC
• Canonical SMILES: CCC(c1ccc(c(c1)OC)OC)N
• InChI: InChI=1S/C11H17NO2/c1-4-9(12)8-5-6-10(13-2)11(7-8)14-3/h5-7,9H,4,12H2,1-3H3
• InChIKey: GOYNRRVQKKZYOW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(3,4-dimethoxyphenyl)propan-1-amine
• IUPAC Traditional name: 1-(3,4-dimethoxyphenyl)propan-1-amine
• Synonyms: 1-(3,4-dimethoxyphenyl)-1-propanamine

Database IDs

• CAS Number: 101589-21-3
• MDL Number: MFCD09042084

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -1.2813952
• LogD (pH = 7.4): -0.5008766
• Log P: 1.7227691
• Molar Refractivity: 56.4006 cm^3
• Polarizability: 22.411955 Å^3
• Polar Surface Area: 44.48 Å^2