{2-[(4-chloropyridin-2-yl)oxy]ethyl}dimethylamine

• ChemBase ID: 796828
• Molecular Formular: C9H13ClN2O
• Molecular Mass: 200.66532
• Monoisotopic Mass: 200.07164073
• SMILES: C(COc1nccc(c1)Cl)N(C)C
• Canonical SMILES: CN(CCOc1nccc(c1)Cl)C
• InChI: InChI=1S/C9H13ClN2O/c1-12(2)5-6-13-9-7-8(10)3-4-11-9/h3-4,7H,5-6H2,1-2H3
• InChIKey: PELVVKWJGWRHDW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: {2-[(4-chloropyridin-2-yl)oxy]ethyl}dimethylamine
• IUPAC Traditional name: {2-[(4-chloropyridin-2-yl)oxy]ethyl}dimethylamine
• Synonyms: 2-((4-Chloropyridin-2-yl)oxy)-N,N-diMethylethanaMine

Database IDs

• CAS Number: 1346708-18-6

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): -1.1447728
• LogD (pH = 7.4): 0.584589
• Log P: 1.8150488
• Molar Refractivity: 53.5017 cm^3
• Polarizability: 20.883429 Å^3
• Polar Surface Area: 25.36 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 97%