5-bromo-N-{2-[(tert-butyldimethylsilyl)oxy]ethyl}-N-methylpyridin-2-amine

• ChemBase ID: 163051
• Molecular Formular: C14H25BrN2OSi
• Molecular Mass: 345.3506
• Monoisotopic Mass: 344.09195196
• SMILES: c1(cnc(cc1)N(CCO[Si](C)(C)C(C)(C)C)C)Br
• Canonical SMILES: Brc1ccc(nc1)N(CCO[Si](C(C)(C)C)(C)C)C
• InChI: InChI=1S/C14H25BrN2OSi/c1-14(2,3)19(5,6)18-10-9-17(4)13-8-7-12(15)11-16-13/h7-8,11H,9-10H2,1-6H3
• InChIKey: WVTIXZIWALRKBZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-bromo-N-{2-[(tert-butyldimethylsilyl)oxy]ethyl}-N-methylpyridin-2-amine
• IUPAC Traditional name: 5-bromo-N-{2-[(tert-butyldimethylsilyl)oxy]ethyl}-N-methylpyridin-2-amine
• Synonyms: (5-Bromopyridin-2-yl)[2-(tert-butyldimethylsilyloxy)ethyl]methylamine; 5-Bromo-N-[2-[[(1,1-dimethylethyl)dimethylsilyl]oxy]ethyl]-N-methyl-2-pyridinamine

Database IDs

• CAS Number: 326496-01-9
• PubChem SID: 162257186
• PubChem CID: 53411491

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 4.5510745
• LogD (pH = 7.4): 4.609106
• Log P: 4.6099
• Molar Refractivity: 82.4064 cm^3
• Polarizability: 33.512512 Å^3
• Polar Surface Area: 25.36 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Solubility: Chloroform; Dichloromethane; Ethyl Acetate