(4-methoxy-3-methylpyridin-2-yl)methanamine

• ChemBase ID: 807197
• Molecular Formular: C8H12N2O
• Molecular Mass: 152.19368
• Monoisotopic Mass: 152.09496301
• SMILES: C(N)c1nccc(c1C)OC
• Canonical SMILES: COc1ccnc(c1C)CN
• InChI: InChI=1S/C8H12N2O/c1-6-7(5-9)10-4-3-8(6)11-2/h3-4H,5,9H2,1-2H3
• InChIKey: KUODXGXALPUORD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (4-methoxy-3-methylpyridin-2-yl)methanamine
• IUPAC Traditional name: (4-methoxy-3-methylpyridin-2-yl)methanamine
• Synonyms: (4-METHOXY-3-METHYLPYRIDIN-2-YL)METHANAMINE

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -2.383319
• LogD (pH = 7.4): -0.759669
• Log P: 0.31856385
• Molar Refractivity: 43.3567 cm^3
• Polarizability: 17.073587 Å^3
• Polar Surface Area: 48.14 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%