4-chloro-2-(2-trimethylsilylethynyl)aniline

C11H14ClNSi — CID 10609155

IUPAC4-chloro-2-(2-trimethylsilylethynyl)aniline
SMILESC[Si](C)(C)C#Cc1cc(Cl)ccc1N
InChIInChI=1S/C11H14ClNSi/c1-14(2,3)7-6-9-8-10(12)4-5-11(9)13/h4-5,8H,13H2,1-3H3
InChIKeyLGSZJGAWHOCXDM-UHFFFAOYSA-N
MW223.78 g/mol
LogP3.15
Rot. Bonds

About 4-chloro-2-(2-trimethylsilylethynyl)aniline

4-chloro-2-(2-trimethylsilylethynyl)aniline (PubChem CID 10609155) has the molecular formula C11H14ClNSi and a molecular weight of 223.78 g/mol. Its IUPAC name is 4-chloro-2-(2-trimethylsilylethynyl)aniline.

Molecular Properties

Compound Name4-chloro-2-(2-trimethylsilylethynyl)aniline
PubChem CID10609155
Molecular FormulaC11H14ClNSi
Molecular Weight223.78 g/mol
Exact Mass223.06
IUPAC Name4-chloro-2-(2-trimethylsilylethynyl)aniline
SMILESC[Si](C)(C)C#Cc1cc(Cl)ccc1N
InChIInChI=1S/C11H14ClNSi/c1-14(2,3)7-6-9-8-10(12)4-5-11(9)13/h4-5,8H,13H2,1-3H3
InChIKeyLGSZJGAWHOCXDM-UHFFFAOYSA-N
XLogP3.15
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.78
LogP ≤ 53.15
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'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-(2-trimethylsilylethynyl)aniline?
The IUPAC name of 4-chloro-2-(2-trimethylsilylethynyl)aniline (CID 10609155) is 4-chloro-2-(2-trimethylsilylethynyl)aniline.
What is the SMILES notation for 4-chloro-2-(2-trimethylsilylethynyl)aniline?
The canonical SMILES for 4-chloro-2-(2-trimethylsilylethynyl)aniline is C[Si](C)(C)C#Cc1cc(Cl)ccc1N.
What is the InChIKey of 4-chloro-2-(2-trimethylsilylethynyl)aniline?
The InChIKey is LGSZJGAWHOCXDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClNSi/c1-14(2,3)7-6-9-8-10(12)4-5-11(9)13/h4-5,8H,13H2,1-3H3.
What are the key properties of 4-chloro-2-(2-trimethylsilylethynyl)aniline?
4-chloro-2-(2-trimethylsilylethynyl)aniline has a molecular weight of 223.78 g/mol, XLogP of 3.15, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-(2-trimethylsilylethynyl)aniline is sourced from PubChem (CID 10609155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).