2-[(6-methylpyridin-3-yl)oxy]propan-1-amine

• ChemBase ID: 808802
• Molecular Formular: C9H14N2O
• Molecular Mass: 166.22026
• Monoisotopic Mass: 166.11061308
• SMILES: NCC(C)Oc1cnc(cc1)C
• Canonical SMILES: NCC(Oc1ccc(nc1)C)C
• InChI: InChI=1S/C9H14N2O/c1-7-3-4-9(6-11-7)12-8(2)5-10/h3-4,6,8H,5,10H2,1-2H3
• InChIKey: XRBLHDYFMYBHJK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-[(6-methylpyridin-3-yl)oxy]propan-1-amine
• IUPAC Traditional name: 2-[(6-methylpyridin-3-yl)oxy]propan-1-amine
• Synonyms: 2-(6-METHYL-PYRIDIN-3-YLOXY)-PROPYLAMINE

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -2.8307185
• LogD (pH = 7.4): -1.5519997
• Log P: 0.3488635
• Molar Refractivity: 47.3244 cm^3
• Polarizability: 18.921587 Å^3
• Polar Surface Area: 48.14 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%