2-(5-methoxypyridin-3-yl)ethan-1-amine

• ChemBase ID: 804374
• Molecular Formular: C8H12N2O
• Molecular Mass: 152.19368
• Monoisotopic Mass: 152.09496301
• SMILES: NCCc1cncc(c1)OC
• Canonical SMILES: COc1cc(CCN)cnc1
• InChI: InChI=1S/C8H12N2O/c1-11-8-4-7(2-3-9)5-10-6-8/h4-6H,2-3,9H2,1H3
• InChIKey: QZVJRIZHYSQGFO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(5-methoxypyridin-3-yl)ethan-1-amine
• IUPAC Traditional name: 2-(5-methoxypyridin-3-yl)ethanamine
• Synonyms: 2-(5-METHOXY-PYRIDIN-3-YL)-ETHYLAMINE

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -2.9946356
• LogD (pH = 7.4): -2.197448
• Log P: 0.012331764
• Molar Refractivity: 43.5927 cm^3
• Polarizability: 17.077833 Å^3
• Polar Surface Area: 48.14 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%