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

• ChemBase ID: 814790
• Molecular Formular: C10H16N2O
• Molecular Mass: 180.24684
• Monoisotopic Mass: 180.12626314
• SMILES: C(C(C)(C)c1nc(ccc1)OC)N
• Canonical SMILES: NCC(c1cccc(n1)OC)(C)C
• InChI: InChI=1S/C10H16N2O/c1-10(2,7-11)8-5-4-6-9(12-8)13-3/h4-6H,7,11H2,1-3H3
• InChIKey: WLIBONCUXDNHES-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• CAS Number: 1060807-30-8

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -1.2291322
• LogD (pH = 7.4): -0.13951194
• Log P: 1.7356133
• Molar Refractivity: 52.4039 cm^3
• Polarizability: 20.7662 Å^3
• Polar Surface Area: 48.14 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%