[5-(2-methoxyphenyl)pyridin-3-yl]methanamine

• ChemBase ID: 797205
• Molecular Formular: C13H14N2O
• Molecular Mass: 214.26306
• Monoisotopic Mass: 214.11061308
• SMILES: C(N)c1cncc(c1)c1c(cccc1)OC
• Canonical SMILES: COc1ccccc1c1cncc(c1)CN
• InChI: InChI=1S/C13H14N2O/c1-16-13-5-3-2-4-12(13)11-6-10(7-14)8-15-9-11/h2-6,8-9H,7,14H2,1H3
• InChIKey: MRVQXNSHURRODC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [5-(2-methoxyphenyl)pyridin-3-yl]methanamine
• IUPAC Traditional name: [5-(2-methoxyphenyl)pyridin-3-yl]methanamine
• Synonyms: (5-(2-Methoxyphenyl)pyridin-3-yl)MethanaMine

Database IDs

• CAS Number: 1356110-80-9

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -1.5593349
• LogD (pH = 7.4): -0.3208278
• Log P: 1.3708959
• Molar Refractivity: 63.9739 cm^3
• Polarizability: 26.334372 Å^3
• Polar Surface Area: 48.14 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 97%