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

• ChemBase ID: 236328
• Molecular Formular: C8H12N2O
• Molecular Mass: 152.19368
• Monoisotopic Mass: 152.09496301
• SMILES: n1c(OC)cccc1CCN
• Canonical SMILES: NCCc1cccc(n1)OC
• InChI: InChI=1S/C8H12N2O/c1-11-8-4-2-3-7(10-8)5-6-9/h2-4H,5-6,9H2,1H3
• InChIKey: WEBZWISZCKYJDN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(6-methoxypyridin-2-yl)ethan-1-amine
• IUPAC Traditional name: 2-(6-methoxypyridin-2-yl)ethanamine
• Synonyms: 2-(6-methoxypyridin-2-yl)ethan-1-amine; 2-(6-METHOXY-PYRIDIN-2-YL)-ETHYLAMINE

Database IDs

• CAS Number: 194658-15-6
• MDL Number: MFCD09924454
• PubChem SID: 164292238
• PubChem CID: 21243519

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -2.359359
• LogD (pH = 7.4): -1.4897836
• Log P: 0.6366127
• Molar Refractivity: 43.3284 cm^3
• Polarizability: 17.081148 Å^3
• Polar Surface Area: 48.14 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 0.756

Product Information

• Purity: 95%; 98%