3-(3-methoxyphenyl)pyridin-4-amine

• ChemBase ID: 796475
• Molecular Formular: C12H12N2O
• Molecular Mass: 200.23648
• Monoisotopic Mass: 200.09496301
• SMILES: n1cc(c(cc1)N)c1cc(ccc1)OC
• Canonical SMILES: COc1cccc(c1)c1cnccc1N
• InChI: InChI=1S/C12H12N2O/c1-15-10-4-2-3-9(7-10)11-8-14-6-5-12(11)13/h2-8H,1H3,(H2,13,14)
• InChIKey: LPCUUNMNJNJUAT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-(3-methoxyphenyl)pyridin-4-amine
• IUPAC Traditional name: 3-(3-methoxyphenyl)pyridin-4-amine
• Synonyms: 3-(3-Methoxyphenyl)pyridin-4-aMine

Database IDs

• CAS Number: 1344105-33-4

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 0.43383014
• LogD (pH = 7.4): 0.6090553
• Log P: 1.4162015
• Molar Refractivity: 60.2009 cm^3
• Polarizability: 24.075935 Å^3
• Polar Surface Area: 48.14 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 97%