2-(6-methoxypyridin-3-yl)propan-2-amine

• ChemBase ID: 814794
• Molecular Formular: C9H14N2O
• Molecular Mass: 166.22026
• Monoisotopic Mass: 166.11061308
• SMILES: CC(C)(N)c1cnc(cc1)OC
• Canonical SMILES: COc1ccc(cn1)C(N)(C)C
• InChI: InChI=1S/C9H14N2O/c1-9(2,10)7-4-5-8(12-3)11-6-7/h4-6H,10H2,1-3H3
• InChIKey: JMKKQRBZKOAYDH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(6-methoxypyridin-3-yl)propan-2-amine
• IUPAC Traditional name: 2-(6-methoxypyridin-3-yl)propan-2-amine
• Synonyms: 2-(6-methoxypyridin-3-yl)propan-2-amine

Database IDs

• CAS Number: 566161-84-0

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -1.9849997
• LogD (pH = 7.4): -1.1601592
• Log P: 1.0152798
• Molar Refractivity: 48.2082 cm^3
• Polarizability: 18.997179 Å^3
• Polar Surface Area: 48.14 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%