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

• ChemBase ID: 806677
• Molecular Formular: C8H12N2O
• Molecular Mass: 152.19368
• Monoisotopic Mass: 152.09496301
• SMILES: NCCc1c(nccc1)OC
• Canonical SMILES: COc1ncccc1CCN
• InChI: InChI=1S/C8H12N2O/c1-11-8-7(4-5-9)3-2-6-10-8/h2-3,6H,4-5,9H2,1H3
• InChIKey: JFIYZBGQBGXCAA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -2.3926325
• LogD (pH = 7.4): -1.558013
• Log P: 0.6067893
• Molar Refractivity: 43.9062 cm^3
• Polarizability: 17.081495 Å^3
• Polar Surface Area: 48.14 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%