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

• ChemBase ID: 236439
• Molecular Formular: C9H14N2O
• Molecular Mass: 166.22026
• Monoisotopic Mass: 166.11061308
• SMILES: n1c(OCC)cccc1CCN
• Canonical SMILES: NCCc1cccc(n1)OCC
• InChI: InChI=1S/C9H14N2O/c1-2-12-9-5-3-4-8(11-9)6-7-10/h3-5H,2,6-7,10H2,1H3
• InChIKey: NXYXTNDPTYMCQS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(6-ethoxypyridin-2-yl)ethan-1-amine
• IUPAC Traditional name: 2-(6-ethoxypyridin-2-yl)ethanamine
• Synonyms: 2-(6-ethoxypyridin-2-yl)ethan-1-amine

Database IDs

• MDL Number: MFCD18367811
• PubChem SID: 164292349
• PubChem CID: 63588377

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -2.0025244
• LogD (pH = 7.4): -1.1327716
• Log P: 0.99342066
• Molar Refractivity: 48.077 cm^3
• Polarizability: 18.923843 Å^3
• Polar Surface Area: 48.14 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.285

Product Information

• Purity: 95%