{3-[(4-bromopyridin-2-yl)oxy]propyl}dimethylamine

• ChemBase ID: 797368
• Molecular Formular: C10H15BrN2O
• Molecular Mass: 259.1429
• Monoisotopic Mass: 258.03677511
• SMILES: C(CCOc1nccc(c1)Br)N(C)C
• Canonical SMILES: CN(CCCOc1nccc(c1)Br)C
• InChI: InChI=1S/C10H15BrN2O/c1-13(2)6-3-7-14-10-8-9(11)4-5-12-10/h4-5,8H,3,6-7H2,1-2H3
• InChIKey: MGOIPGVPOKRAOF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: {3-[(4-bromopyridin-2-yl)oxy]propyl}dimethylamine
• IUPAC Traditional name: {3-[(4-bromopyridin-2-yl)oxy]propyl}dimethylamine
• Synonyms: 3-((4-BroMopyridin-2-yl)oxy)-N,N-diMethylpropan-1-aMine

Database IDs

• CAS Number: 1289045-79-9

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): -1.269952
• LogD (pH = 7.4): 0.18678398
• Log P: 2.0397165
• Molar Refractivity: 61.1851 cm^3
• Polarizability: 23.619759 Å^3
• Polar Surface Area: 25.36 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 97%