2-(6-methoxypyridin-3-yl)-2-methylpropan-1-amine

• ChemBase ID: 814791
• Molecular Formular: C10H16N2O
• Molecular Mass: 180.24684
• Monoisotopic Mass: 180.12626314
• SMILES: C(C(C)(C)c1cnc(cc1)OC)N
• Canonical SMILES: NCC(c1ccc(nc1)OC)(C)C
• InChI: InChI=1S/C10H16N2O/c1-10(2,7-11)8-4-5-9(13-3)12-6-8/h4-6H,7,11H2,1-3H3
• InChIKey: IXRXFJLIDNBWRI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(6-methoxypyridin-3-yl)-2-methylpropan-1-amine
• IUPAC Traditional name: 2-(6-methoxypyridin-3-yl)-2-methylpropan-1-amine
• Synonyms: 2-(6-methoxypyridin-3-yl)-2-methylpropan-1-amine

Database IDs

• CAS Number: 1060807-33-1

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -1.6330565
• LogD (pH = 7.4): -0.6549718
• Log P: 1.3497629
• Molar Refractivity: 52.7759 cm^3
• Polarizability: 20.764809 Å^3
• Polar Surface Area: 48.14 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%