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

• ChemBase ID: 797240
• Molecular Formular: C8H11ClN2O
• Molecular Mass: 186.63874
• Monoisotopic Mass: 186.05599066
• SMILES: C(COc1nccc(c1)Cl)NC
• Canonical SMILES: CNCCOc1cc(Cl)ccn1
• InChI: InChI=1S/C8H11ClN2O/c1-10-4-5-12-8-6-7(9)2-3-11-8/h2-3,6,10H,4-5H2,1H3
• InChIKey: AOCMLFAYNRYYHT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: {2-[(4-chloropyridin-2-yl)oxy]ethyl}(methyl)amine
• IUPAC Traditional name: {2-[(4-chloropyridin-2-yl)oxy]ethyl}(methyl)amine
• Synonyms: 2-((4-Chloropyridin-2-yl)oxy)-N-MethylethanaMine

Database IDs

• CAS Number: 1346708-17-5

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -1.7253249
• LogD (pH = 7.4): -0.55617434
• Log P: 1.4320009
• Molar Refractivity: 48.207 cm^3
• Polarizability: 19.048002 Å^3
• Polar Surface Area: 34.15 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 97%