4-triethylsilylaniline

C12H21NSi — CID 19811066

IUPAC4-triethylsilylaniline
SMILESCC[Si](CC)(CC)c1ccc(N)cc1
InChIInChI=1S/C12H21NSi/c1-4-14(5-2,6-3)12-9-7-11(13)8-10-12/h7-10H,4-6,13H2,1-3H3
InChIKeyVXUYIMVZEPATNL-UHFFFAOYSA-N
MW207.39 g/mol
LogP2.98
Rot. Bonds4

About 4-triethylsilylaniline

4-triethylsilylaniline (PubChem CID 19811066) has the molecular formula C12H21NSi and a molecular weight of 207.39 g/mol. Its IUPAC name is 4-triethylsilylaniline.

Molecular Properties

Compound Name4-triethylsilylaniline
PubChem CID19811066
Molecular FormulaC12H21NSi
Molecular Weight207.39 g/mol
Exact Mass207.14
IUPAC Name4-triethylsilylaniline
SMILESCC[Si](CC)(CC)c1ccc(N)cc1
InChIInChI=1S/C12H21NSi/c1-4-14(5-2,6-3)12-9-7-11(13)8-10-12/h7-10H,4-6,13H2,1-3H3
InChIKeyVXUYIMVZEPATNL-UHFFFAOYSA-N
XLogP2.98
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.39
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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 4-triethylsilylaniline?
The IUPAC name of 4-triethylsilylaniline (CID 19811066) is 4-triethylsilylaniline.
What is the SMILES notation for 4-triethylsilylaniline?
The canonical SMILES for 4-triethylsilylaniline is CC[Si](CC)(CC)c1ccc(N)cc1.
What is the InChIKey of 4-triethylsilylaniline?
The InChIKey is VXUYIMVZEPATNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NSi/c1-4-14(5-2,6-3)12-9-7-11(13)8-10-12/h7-10H,4-6,13H2,1-3H3.
What are the key properties of 4-triethylsilylaniline?
4-triethylsilylaniline has a molecular weight of 207.39 g/mol, XLogP of 2.98, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-triethylsilylaniline is sourced from PubChem (CID 19811066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).