4-[tert-butyl(dimethyl)silyl]oxyaniline

C12H21NOSi — CID 11715553

IUPAC4-[tert-butyl(dimethyl)silyl]oxyaniline
SMILESCC(C)(C)[Si](C)(C)Oc1ccc(N)cc1
InChIInChI=1S/C12H21NOSi/c1-12(2,3)15(4,5)14-11-8-6-10(13)7-9-11/h6-9H,13H2,1-5H3
InChIKeyXSVKDCVIWOKXSX-UHFFFAOYSA-N
MW223.39 g/mol
LogP3.65
Rot. Bonds2

About 4-[tert-butyl(dimethyl)silyl]oxyaniline

4-[tert-butyl(dimethyl)silyl]oxyaniline (PubChem CID 11715553) has the molecular formula C12H21NOSi and a molecular weight of 223.39 g/mol. Its IUPAC name is 4-[tert-butyl(dimethyl)silyl]oxyaniline.

Molecular Properties

Compound Name4-[tert-butyl(dimethyl)silyl]oxyaniline
PubChem CID11715553
Molecular FormulaC12H21NOSi
Molecular Weight223.39 g/mol
Exact Mass223.14
IUPAC Name4-[tert-butyl(dimethyl)silyl]oxyaniline
SMILESCC(C)(C)[Si](C)(C)Oc1ccc(N)cc1
InChIInChI=1S/C12H21NOSi/c1-12(2,3)15(4,5)14-11-8-6-10(13)7-9-11/h6-9H,13H2,1-5H3
InChIKeyXSVKDCVIWOKXSX-UHFFFAOYSA-N
XLogP3.65
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.39
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-[tert-butyl(dimethyl)silyl]oxyaniline?
The IUPAC name of 4-[tert-butyl(dimethyl)silyl]oxyaniline (CID 11715553) is 4-[tert-butyl(dimethyl)silyl]oxyaniline.
What is the SMILES notation for 4-[tert-butyl(dimethyl)silyl]oxyaniline?
The canonical SMILES for 4-[tert-butyl(dimethyl)silyl]oxyaniline is CC(C)(C)[Si](C)(C)Oc1ccc(N)cc1.
What is the InChIKey of 4-[tert-butyl(dimethyl)silyl]oxyaniline?
The InChIKey is XSVKDCVIWOKXSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NOSi/c1-12(2,3)15(4,5)14-11-8-6-10(13)7-9-11/h6-9H,13H2,1-5H3.
What are the key properties of 4-[tert-butyl(dimethyl)silyl]oxyaniline?
4-[tert-butyl(dimethyl)silyl]oxyaniline has a molecular weight of 223.39 g/mol, XLogP of 3.65, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[tert-butyl(dimethyl)silyl]oxyaniline is sourced from PubChem (CID 11715553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).