2-trimethylsilyloxyaniline

C9H15NOSi — CID 597274

IUPAC2-trimethylsilyloxyaniline
SMILESC[Si](C)(C)Oc1ccccc1N
InChIInChI=1S/C9H15NOSi/c1-12(2,3)11-9-7-5-4-6-8(9)10/h4-7H,10H2,1-3H3
InChIKeyVASQIQBISAZVJR-UHFFFAOYSA-N
MW181.31 g/mol
LogP2.48
Rot. Bonds2

About 2-trimethylsilyloxyaniline

2-trimethylsilyloxyaniline (PubChem CID 597274) has the molecular formula C9H15NOSi and a molecular weight of 181.31 g/mol. Its IUPAC name is 2-trimethylsilyloxyaniline.

Molecular Properties

Compound Name2-trimethylsilyloxyaniline
PubChem CID597274
Molecular FormulaC9H15NOSi
Molecular Weight181.31 g/mol
Exact Mass181.09
IUPAC Name2-trimethylsilyloxyaniline
SMILESC[Si](C)(C)Oc1ccccc1N
InChIInChI=1S/C9H15NOSi/c1-12(2,3)11-9-7-5-4-6-8(9)10/h4-7H,10H2,1-3H3
InChIKeyVASQIQBISAZVJR-UHFFFAOYSA-N
XLogP2.48
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.31
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'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 2-trimethylsilyloxyaniline?
The IUPAC name of 2-trimethylsilyloxyaniline (CID 597274) is 2-trimethylsilyloxyaniline.
What is the SMILES notation for 2-trimethylsilyloxyaniline?
The canonical SMILES for 2-trimethylsilyloxyaniline is C[Si](C)(C)Oc1ccccc1N.
What is the InChIKey of 2-trimethylsilyloxyaniline?
The InChIKey is VASQIQBISAZVJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NOSi/c1-12(2,3)11-9-7-5-4-6-8(9)10/h4-7H,10H2,1-3H3.
What are the key properties of 2-trimethylsilyloxyaniline?
2-trimethylsilyloxyaniline has a molecular weight of 181.31 g/mol, XLogP of 2.48, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-trimethylsilyloxyaniline is sourced from PubChem (CID 597274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).