4-chloro-3-{[tris(propan-2-yl)silyl]oxy}aniline

• ChemBase ID: 179164
• Molecular Formular: C15H26ClNOSi
• Molecular Mass: 299.91154
• Monoisotopic Mass: 299.14721867
• SMILES: c1c(c(ccc1N)Cl)O[Si](C(C)C)(C(C)C)C(C)C
• Canonical SMILES: CC([Si](C(C)C)(C(C)C)Oc1cc(N)ccc1Cl)C
• InChI: InChI=1S/C15H26ClNOSi/c1-10(2)19(11(3)4,12(5)6)18-15-9-13(17)7-8-14(15)16/h7-12H,17H2,1-6H3
• InChIKey: WHUIGOCVGQWIMZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-chloro-3-{[tris(propan-2-yl)silyl]oxy}aniline
• IUPAC Traditional name: 4-chloro-3-[(triisopropylsilyl)oxy]aniline
• Synonyms: 4-Chloro-3-[[tris(1-methylethyl)silyl]oxy]benzenamine; 3-Triisopropylsilyloxy-4-chloroaniline

Database IDs

• CAS Number: 1159977-62-4
• PubChem SID: 164235074
• PubChem CID: 46783188

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 5.037798
• LogD (pH = 7.4): 5.0420456
• Log P: 5.0421
• Molar Refractivity: 81.0054 cm^3
• Polarizability: 33.52117 Å^3
• Polar Surface Area: 35.25 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: false

PROPERTIES

Physical Property

• Solubility: Dichloromethane; Ethyl Acetate
• Apperance: Yellow Solid