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

• ChemBase ID: 804363
• Molecular Formular: C9H14N2O
• Molecular Mass: 166.22026
• Monoisotopic Mass: 166.11061308
• SMILES: NCCCc1c(nccc1)OC
• Canonical SMILES: COc1ncccc1CCCN
• InChI: InChI=1S/C9H14N2O/c1-12-9-8(4-2-6-10)5-3-7-11-9/h3,5,7H,2,4,6,10H2,1H3
• InChIKey: WRWHDEANNMGMAO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-(2-methoxypyridin-3-yl)propan-1-amine
• IUPAC Traditional name: 3-(2-methoxypyridin-3-yl)propan-1-amine
• Synonyms: 3-(2-METHOXY-PYRIDIN-3-YL)-PROPYLAMINE

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -1.9723312
• LogD (pH = 7.4): -1.4461671
• Log P: 1.051358
• Molar Refractivity: 48.5072 cm^3
• Polarizability: 18.924973 Å^3
• Polar Surface Area: 48.14 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%