6-(3-methoxyphenoxy)pyridin-3-amine

• ChemBase ID: 306923
• Molecular Formular: C12H12N2O2
• Molecular Mass: 216.23588
• Monoisotopic Mass: 216.08987763
• SMILES: n1c(Oc2cc(OC)ccc2)ccc(c1)N
• Canonical SMILES: COc1cccc(c1)Oc1ccc(cn1)N
• InChI: InChI=1S/C12H12N2O2/c1-15-10-3-2-4-11(7-10)16-12-6-5-9(13)8-14-12/h2-8H,13H2,1H3
• InChIKey: MZXBOWPVJDFSKP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6-(3-methoxyphenoxy)pyridin-3-amine
• IUPAC Traditional name: 6-(3-methoxyphenoxy)pyridin-3-amine
• Synonyms: 6-(3-methoxyphenoxy)pyridin-3-amine

Database IDs

• CAS Number: 305801-13-2
• MDL Number: MFCD03724059

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 1.8634114
• LogD (pH = 7.4): 1.863717
• Log P: 1.8637209
• Molar Refractivity: 61.619 cm^3
• Polarizability: 23.41583 Å^3
• Polar Surface Area: 57.37 Å^2