5-(4-methoxyphenyl)pyridin-2-amine

• ChemBase ID: 810376
• Molecular Formular: C12H12N2O
• Molecular Mass: 200.23648
• Monoisotopic Mass: 200.09496301
• SMILES: n1c(ccc(c1)c1ccc(cc1)OC)N
• Canonical SMILES: COc1ccc(cc1)c1ccc(nc1)N
• InChI: InChI=1S/C12H12N2O/c1-15-11-5-2-9(3-6-11)10-4-7-12(13)14-8-10/h2-8H,1H3,(H2,13,14)
• InChIKey: CSWWIPYFIQSGFG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-(4-methoxyphenyl)pyridin-2-amine
• IUPAC Traditional name: 5-(4-methoxyphenyl)pyridin-2-amine
• Synonyms: 5-(4-METHOXYPHENYL)-2-PYRIDINAMINE

Database IDs

• CAS Number: 503536-75-2

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 1.1941525
• LogD (pH = 7.4): 1.9749883
• Log P: 2.010659
• Molar Refractivity: 60.5144 cm^3
• Polarizability: 24.073992 Å^3
• Polar Surface Area: 48.14 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%