{3-[(5-bromopyridin-2-yl)oxy]propyl}dimethylamine

• ChemBase ID: 290618
• Molecular Formular: C10H15BrN2O
• Molecular Mass: 259.1429
• Monoisotopic Mass: 258.03677511
• SMILES: CN(C)CCCOc1ncc(Br)cc1
• Canonical SMILES: CN(CCCOc1ccc(cn1)Br)C
• InChI: InChI=1S/C10H15BrN2O/c1-13(2)6-3-7-14-10-5-4-9(11)8-12-10/h4-5,8H,3,6-7H2,1-2H3
• InChIKey: NDZCQLBVBUYBKW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: {3-[(5-bromopyridin-2-yl)oxy]propyl}dimethylamine
• IUPAC Traditional name: {3-[(5-bromopyridin-2-yl)oxy]propyl}dimethylamine
• Synonyms: 3-((5-Bromopyridin-2-yl)oxy)-N,N-dimethylpropan-1-amine

Database IDs

• CAS Number: 1248399-37-2
• PubChem SID: 180676149
• PubChem CID: 53211528

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): -1.2698843
• LogD (pH = 7.4): 0.18678483
• Log P: 2.0397165
• Molar Refractivity: 61.1851 cm^3
• Polarizability: 23.62387 Å^3
• Polar Surface Area: 25.36 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%