[1-(3,4-dimethoxyphenyl)propyl](pyridin-3-ylmethyl)amine

• ChemBase ID: 311892
• Molecular Formular: C17H22N2O2
• Molecular Mass: 286.36878
• Monoisotopic Mass: 286.16812795
• SMILES: c1c(ccc(c1OC)OC)C(NCc1cnccc1)CC
• Canonical SMILES: CCC(c1ccc(c(c1)OC)OC)NCc1cccnc1
• InChI: InChI=1S/C17H22N2O2/c1-4-15(19-12-13-6-5-9-18-11-13)14-7-8-16(20-2)17(10-14)21-3/h5-11,15,19H,4,12H2,1-3H3
• InChIKey: CHEYOVHGAFSPII-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [1-(3,4-dimethoxyphenyl)propyl](pyridin-3-ylmethyl)amine
• IUPAC Traditional name: [1-(3,4-dimethoxyphenyl)propyl](pyridin-3-ylmethyl)amine
• Synonyms: 1-(3,4-dimethoxyphenyl)-N-(pyridin-3-ylmethyl)propan-1-amine

Database IDs

• CAS Number: 497246-99-8
• MDL Number: MFCD03298119

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): -0.2638277
• LogD (pH = 7.4): 1.33736
• Log P: 2.6621501
• Molar Refractivity: 83.6309 cm^3
• Polarizability: 32.953674 Å^3
• Polar Surface Area: 43.38 Å^2