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

• ChemBase ID: 796861
• Molecular Formular: C9H13BrN2O
• Molecular Mass: 245.11632
• Monoisotopic Mass: 244.02112505
• SMILES: C(COc1nccc(c1)Br)N(C)C
• Canonical SMILES: CN(CCOc1nccc(c1)Br)C
• InChI: InChI=1S/C9H13BrN2O/c1-12(2)5-6-13-9-7-8(10)3-4-11-9/h3-4,7H,5-6H2,1-2H3
• InChIKey: BALXFCSLYKCGAG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• CAS Number: 1142944-58-8

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): -0.9831986
• LogD (pH = 7.4): 0.7451678
• Log P: 1.9797568
• Molar Refractivity: 56.3197 cm^3
• Polarizability: 21.800823 Å^3
• Polar Surface Area: 25.36 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 97%