4-bromo-3-trimethylsilylaniline

C9H14BrNSi — CID 89139110

IUPAC4-bromo-3-trimethylsilylaniline
SMILESC[Si](C)(C)c1cc(N)ccc1Br
InChIInChI=1S/C9H14BrNSi/c1-12(2,3)9-6-7(11)4-5-8(9)10/h4-6H,11H2,1-3H3
InChIKeyZGPVYJKKKFBUNL-UHFFFAOYSA-N
MW244.21 g/mol
LogP2.58
Rot. Bonds1

About 4-bromo-3-trimethylsilylaniline

4-bromo-3-trimethylsilylaniline (PubChem CID 89139110) has the molecular formula C9H14BrNSi and a molecular weight of 244.21 g/mol. Its IUPAC name is 4-bromo-3-trimethylsilylaniline.

Molecular Properties

Compound Name4-bromo-3-trimethylsilylaniline
PubChem CID89139110
Molecular FormulaC9H14BrNSi
Molecular Weight244.21 g/mol
Exact Mass243.01
IUPAC Name4-bromo-3-trimethylsilylaniline
SMILESC[Si](C)(C)c1cc(N)ccc1Br
InChIInChI=1S/C9H14BrNSi/c1-12(2,3)9-6-7(11)4-5-8(9)10/h4-6H,11H2,1-3H3
InChIKeyZGPVYJKKKFBUNL-UHFFFAOYSA-N
XLogP2.58
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.21
LogP ≤ 52.58
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-bromo-3-trimethylsilylaniline?
The IUPAC name of 4-bromo-3-trimethylsilylaniline (CID 89139110) is 4-bromo-3-trimethylsilylaniline.
What is the SMILES notation for 4-bromo-3-trimethylsilylaniline?
The canonical SMILES for 4-bromo-3-trimethylsilylaniline is C[Si](C)(C)c1cc(N)ccc1Br.
What is the InChIKey of 4-bromo-3-trimethylsilylaniline?
The InChIKey is ZGPVYJKKKFBUNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14BrNSi/c1-12(2,3)9-6-7(11)4-5-8(9)10/h4-6H,11H2,1-3H3.
What are the key properties of 4-bromo-3-trimethylsilylaniline?
4-bromo-3-trimethylsilylaniline has a molecular weight of 244.21 g/mol, XLogP of 2.58, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-3-trimethylsilylaniline is sourced from PubChem (CID 89139110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).