2-chloro-4-methyl-6-(2-trimethylsilylethynyl)aniline

C12H16ClNSi — CID 10752383

IUPAC2-chloro-4-methyl-6-(2-trimethylsilylethynyl)aniline
SMILESCc1cc(Cl)c(N)c(C#C[Si](C)(C)C)c1
InChIInChI=1S/C12H16ClNSi/c1-9-7-10(5-6-15(2,3)4)12(14)11(13)8-9/h7-8H,14H2,1-4H3
InChIKeyVNKQJNCVZPBOIL-UHFFFAOYSA-N
MW237.81 g/mol
LogP3.46
Rot. Bonds

About 2-chloro-4-methyl-6-(2-trimethylsilylethynyl)aniline

2-chloro-4-methyl-6-(2-trimethylsilylethynyl)aniline (PubChem CID 10752383) has the molecular formula C12H16ClNSi and a molecular weight of 237.81 g/mol. Its IUPAC name is 2-chloro-4-methyl-6-(2-trimethylsilylethynyl)aniline.

Molecular Properties

Compound Name2-chloro-4-methyl-6-(2-trimethylsilylethynyl)aniline
PubChem CID10752383
Molecular FormulaC12H16ClNSi
Molecular Weight237.81 g/mol
Exact Mass237.07
IUPAC Name2-chloro-4-methyl-6-(2-trimethylsilylethynyl)aniline
SMILESCc1cc(Cl)c(N)c(C#C[Si](C)(C)C)c1
InChIInChI=1S/C12H16ClNSi/c1-9-7-10(5-6-15(2,3)4)12(14)11(13)8-9/h7-8H,14H2,1-4H3
InChIKeyVNKQJNCVZPBOIL-UHFFFAOYSA-N
XLogP3.46
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.81
LogP ≤ 53.46
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 2-chloro-4-methyl-6-(2-trimethylsilylethynyl)aniline?
The IUPAC name of 2-chloro-4-methyl-6-(2-trimethylsilylethynyl)aniline (CID 10752383) is 2-chloro-4-methyl-6-(2-trimethylsilylethynyl)aniline.
What is the SMILES notation for 2-chloro-4-methyl-6-(2-trimethylsilylethynyl)aniline?
The canonical SMILES for 2-chloro-4-methyl-6-(2-trimethylsilylethynyl)aniline is Cc1cc(Cl)c(N)c(C#C[Si](C)(C)C)c1.
What is the InChIKey of 2-chloro-4-methyl-6-(2-trimethylsilylethynyl)aniline?
The InChIKey is VNKQJNCVZPBOIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16ClNSi/c1-9-7-10(5-6-15(2,3)4)12(14)11(13)8-9/h7-8H,14H2,1-4H3.
What are the key properties of 2-chloro-4-methyl-6-(2-trimethylsilylethynyl)aniline?
2-chloro-4-methyl-6-(2-trimethylsilylethynyl)aniline has a molecular weight of 237.81 g/mol, XLogP of 3.46, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-methyl-6-(2-trimethylsilylethynyl)aniline is sourced from PubChem (CID 10752383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).