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

• ChemBase ID: 808894
• Molecular Formular: C14H16N2O
• Molecular Mass: 228.28964
• Monoisotopic Mass: 228.12626314
• SMILES: NCC(c1ccccc1)Oc1cnc(cc1)C
• Canonical SMILES: NCC(c1ccccc1)Oc1ccc(nc1)C
• InChI: InChI=1S/C14H16N2O/c1-11-7-8-13(10-16-11)17-14(9-15)12-5-3-2-4-6-12/h2-8,10,14H,9,15H2,1H3
• InChIKey: OYBXURASKHFVSY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-[(6-methylpyridin-3-yl)oxy]-2-phenylethan-1-amine
• IUPAC Traditional name: 2-[(6-methylpyridin-3-yl)oxy]-2-phenylethanamine
• Synonyms: 2-(6-METHYL-PYRIDIN-3-YLOXY)-2-PHENYL-ETHYLAMINE

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -1.3956405
• LogD (pH = 7.4): 0.115431346
• Log P: 1.7165287
• Molar Refractivity: 67.1884 cm^3
• Polarizability: 26.689398 Å^3
• Polar Surface Area: 48.14 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%