3-(3,4-dimethoxyphenyl)pyridin-4-amine

• ChemBase ID: 797393
• Molecular Formular: C13H14N2O2
• Molecular Mass: 230.26246
• Monoisotopic Mass: 230.1055277
• SMILES: n1cc(c(cc1)N)c1cc(c(cc1)OC)OC
• Canonical SMILES: COc1cc(ccc1OC)c1cnccc1N
• InChI: InChI=1S/C13H14N2O2/c1-16-12-4-3-9(7-13(12)17-2)10-8-15-6-5-11(10)14/h3-8H,1-2H3,(H2,14,15)
• InChIKey: PWSAOELYJWRYTN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-(3,4-dimethoxyphenyl)pyridin-4-amine
• IUPAC Traditional name: 3-(3,4-dimethoxyphenyl)pyridin-4-amine
• Synonyms: 3-(3,4-DiMethoxyphenyl)pyridin-4-aMine

Database IDs

• CAS Number: 663918-36-3

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 0.27606973
• LogD (pH = 7.4): 0.4471583
• Log P: 1.2585303
• Molar Refractivity: 66.6641 cm^3
• Polarizability: 26.559711 Å^3
• Polar Surface Area: 57.37 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 97%