2-(5-methoxypyridin-2-yl)ethan-1-amine

• ChemBase ID: 814491
• Molecular Formular: C8H12N2O
• Molecular Mass: 152.19368
• Monoisotopic Mass: 152.09496301
• SMILES: C(Cc1ncc(cc1)OC)N
• Canonical SMILES: NCCc1ccc(cn1)OC
• InChI: InChI=1S/C8H12N2O/c1-11-8-3-2-7(4-5-9)10-6-8/h2-3,6H,4-5,9H2,1H3
• InChIKey: KDPHKMWTZDRIQU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(5-methoxypyridin-2-yl)ethan-1-amine
• IUPAC Traditional name: 2-(5-methoxypyridin-2-yl)ethanamine
• Synonyms: 2-(5-methoxypyridin-2-yl)ethanamine

Database IDs

• CAS Number: 1060801-81-1

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -2.9618676
• LogD (pH = 7.4): -2.1276073
• Log P: 0.042155188
• Molar Refractivity: 43.0149 cm^3
• Polarizability: 17.077785 Å^3
• Polar Surface Area: 48.14 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%