[(2R)-2-[(tert-butyldimethylsilyl)oxy]-2-{3-[(tert-butyldimethylsilyl)oxy]phenyl}ethyl](methyl)amine

• ChemBase ID: 162224
• Molecular Formular: C21H41NO2Si2
• Molecular Mass: 395.72674
• Monoisotopic Mass: 395.26758262
• SMILES: c1c(cccc1[C@H](CNC)O[Si](C(C)(C)C)(C)C)O[Si](C(C)(C)C)(C)C
• Canonical SMILES: CNC[C@@H](c1cccc(c1)O[Si](C(C)(C)C)(C)C)O[Si](C(C)(C)C)(C)C
• InChI: InChI=1S/C21H41NO2Si2/c1-20(2,3)25(8,9)23-18-14-12-13-17(15-18)19(16-22-7)24-26(10,11)21(4,5)6/h12-15,19,22H,16H2,1-11H3/t19-/m0/s1
• InChIKey: CCCLWXYOVOYPST-IBGZPJMESA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [(2R)-2-[(tert-butyldimethylsilyl)oxy]-2-{3-[(tert-butyldimethylsilyl)oxy]phenyl}ethyl](methyl)amine
• IUPAC Traditional name: [(2R)-2-[(tert-butyldimethylsilyl)oxy]-2-{3-[(tert-butyldimethylsilyl)oxy]phenyl}ethyl](methyl)amine
• Synonyms: (R)-O,O-Bis(tert-butyldimethlsilyl) Phenylephrine

Database IDs

• CAS Number: 1217862-07-1
• PubChem SID: 162256359
• PubChem CID: 45038365

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 2.4462662
• LogD (pH = 7.4): 4.0885324
• Log P: 5.6964
• Molar Refractivity: 106.9456 cm^3
• Polarizability: 46.721874 Å^3
• Polar Surface Area: 30.49 Å^2
• Rotatable Bonds: 9
• Lipinski's Rule of Five: false

PROPERTIES

Physical Property

• Solubility: Chloroform; Dichloromethane; Ethanol; Ethyl Acetate; Methanol; Toluene
• Apperance: Yellow Oil