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

• ChemBase ID: 161687
• Molecular Formular: C21H32N2O2Si
• Molecular Mass: 372.57648
• Monoisotopic Mass: 372.22330481
• SMILES: c1(cnc(cc1)N(CCO[Si](C)(C)C(C)(C)C)C)OCc1ccccc1
• Canonical SMILES: CN(c1ccc(cn1)OCc1ccccc1)CCO[Si](C(C)(C)C)(C)C
• InChI: InChI=1S/C21H32N2O2Si/c1-21(2,3)26(5,6)25-15-14-23(4)20-13-12-19(16-22-20)24-17-18-10-8-7-9-11-18/h7-13,16H,14-15,17H2,1-6H3
• InChIKey: OUIKDKSONMPOEJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-(benzyloxy)-N-{2-[(tert-butyldimethylsilyl)oxy]ethyl}-N-methylpyridin-2-amine
• IUPAC Traditional name: 5-(benzyloxy)-N-{2-[(tert-butyldimethylsilyl)oxy]ethyl}-N-methylpyridin-2-amine
• Synonyms: N-[2-[[(1,1-Dimethylethyl)dimethylsilyl]oxy]ethyl]-N-methyl-5-(phenylmethoxy)-2-pyridinamine; 3-Benzyloxy[6-[2-(tert-Butyldimethylsilyloxy)ethyl]methylamino]pyridine

Database IDs

• CAS Number: 1076198-95-2
• PubChem SID: 162255822
• PubChem CID: 57369166

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 4.905212
• LogD (pH = 7.4): 5.332369
• Log P: 5.342
• Molar Refractivity: 105.8594 cm^3
• Polarizability: 42.882294 Å^3
• Polar Surface Area: 34.59 Å^2
• Rotatable Bonds: 9
• Lipinski's Rule of Five: false

PROPERTIES

Physical Property

• Solubility: Ethyl Acetate; Methanol