6-(2-methoxyphenoxy)pyridin-3-amine

• ChemBase ID: 123046
• Molecular Formular: C12H12N2O2
• Molecular Mass: 216.23588
• Monoisotopic Mass: 216.08987763
• SMILES: n1c(Oc2c(OC)cccc2)ccc(c1)N
• Canonical SMILES: COc1ccccc1Oc1ccc(cn1)N
• InChI: InChI=1S/C12H12N2O2/c1-15-10-4-2-3-5-11(10)16-12-7-6-9(13)8-14-12/h2-8H,13H2,1H3
• InChIKey: OBQXIUWONSOVRH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6-(2-methoxyphenoxy)pyridin-3-amine
• IUPAC Traditional name: 6-(2-methoxyphenoxy)pyridin-3-amine
• Synonyms: 6-(2-methoxyphenoxy)pyridin-3-amine

Database IDs

• CAS Number: 305801-17-6
• MDL Number: MFCD03724058
• PubChem SID: 162217399
• PubChem CID: 847104

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 1.8634504
• LogD (pH = 7.4): 1.8637174
• Log P: 1.8637209
• Molar Refractivity: 61.619 cm^3
• Polarizability: 23.4173 Å^3
• Polar Surface Area: 57.37 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true