2-chloro-6-methyl-4-(1,1,1-trifluoro-2-trimethylsilyloxypropan-2-yl)aniline

C13H19ClF3NOSi — CID 140801942

IUPAC2-chloro-6-methyl-4-(1,1,1-trifluoro-2-trimethylsilyloxypropan-2-yl)aniline
SMILESCc1cc(C(C)(O[Si](C)(C)C)C(F)(F)F)cc(Cl)c1N
InChIInChI=1S/C13H19ClF3NOSi/c1-8-6-9(7-10(14)11(8)18)12(2,13(15,16)17)19-20(3,4)5/h6-7H,18H2,1-5H3
InChIKeyIFQLWJXRCRSTAG-UHFFFAOYSA-N
MW325.83 g/mol
LogP4.86
Rot. Bonds3

About 2-chloro-6-methyl-4-(1,1,1-trifluoro-2-trimethylsilyloxypropan-2-yl)aniline

2-chloro-6-methyl-4-(1,1,1-trifluoro-2-trimethylsilyloxypropan-2-yl)aniline (PubChem CID 140801942) has the molecular formula C13H19ClF3NOSi and a molecular weight of 325.83 g/mol. Its IUPAC name is 2-chloro-6-methyl-4-(1,1,1-trifluoro-2-trimethylsilyloxypropan-2-yl)aniline.

Molecular Properties

Compound Name2-chloro-6-methyl-4-(1,1,1-trifluoro-2-trimethylsilyloxypropan-2-yl)aniline
PubChem CID140801942
Molecular FormulaC13H19ClF3NOSi
Molecular Weight325.83 g/mol
Exact Mass325.09
IUPAC Name2-chloro-6-methyl-4-(1,1,1-trifluoro-2-trimethylsilyloxypropan-2-yl)aniline
SMILESCc1cc(C(C)(O[Si](C)(C)C)C(F)(F)F)cc(Cl)c1N
InChIInChI=1S/C13H19ClF3NOSi/c1-8-6-9(7-10(14)11(8)18)12(2,13(15,16)17)19-20(3,4)5/h6-7H,18H2,1-5H3
InChIKeyIFQLWJXRCRSTAG-UHFFFAOYSA-N
XLogP4.86
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.83
LogP ≤ 54.86
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-chloro-6-methyl-4-(1,1,1-trifluoro-2-trimethylsilyloxypropan-2-yl)aniline?
The IUPAC name of 2-chloro-6-methyl-4-(1,1,1-trifluoro-2-trimethylsilyloxypropan-2-yl)aniline (CID 140801942) is 2-chloro-6-methyl-4-(1,1,1-trifluoro-2-trimethylsilyloxypropan-2-yl)aniline.
What is the SMILES notation for 2-chloro-6-methyl-4-(1,1,1-trifluoro-2-trimethylsilyloxypropan-2-yl)aniline?
The canonical SMILES for 2-chloro-6-methyl-4-(1,1,1-trifluoro-2-trimethylsilyloxypropan-2-yl)aniline is Cc1cc(C(C)(O[Si](C)(C)C)C(F)(F)F)cc(Cl)c1N.
What is the InChIKey of 2-chloro-6-methyl-4-(1,1,1-trifluoro-2-trimethylsilyloxypropan-2-yl)aniline?
The InChIKey is IFQLWJXRCRSTAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19ClF3NOSi/c1-8-6-9(7-10(14)11(8)18)12(2,13(15,16)17)19-20(3,4)5/h6-7H,18H2,1-5H3.
What are the key properties of 2-chloro-6-methyl-4-(1,1,1-trifluoro-2-trimethylsilyloxypropan-2-yl)aniline?
2-chloro-6-methyl-4-(1,1,1-trifluoro-2-trimethylsilyloxypropan-2-yl)aniline has a molecular weight of 325.83 g/mol, XLogP of 4.86, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-methyl-4-(1,1,1-trifluoro-2-trimethylsilyloxypropan-2-yl)aniline is sourced from PubChem (CID 140801942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).