2,4,6-trichloro-N-(2,2-dimethylpropyl)aniline

C11H14Cl3N — CID 63425253

IUPAC2,4,6-trichloro-N-(2,2-dimethylpropyl)aniline
SMILESCC(C)(C)CNc1c(Cl)cc(Cl)cc1Cl
InChIInChI=1S/C11H14Cl3N/c1-11(2,3)6-15-10-8(13)4-7(12)5-9(10)14/h4-5,15H,6H2,1-3H3
InChIKeyYPHFOJSECWLCDG-UHFFFAOYSA-N
MW266.60 g/mol
LogP5.10
Rot. Bonds2

About 2,4,6-trichloro-N-(2,2-dimethylpropyl)aniline

2,4,6-trichloro-N-(2,2-dimethylpropyl)aniline (PubChem CID 63425253) has the molecular formula C11H14Cl3N and a molecular weight of 266.60 g/mol. Its IUPAC name is 2,4,6-trichloro-N-(2,2-dimethylpropyl)aniline.

Molecular Properties

Compound Name2,4,6-trichloro-N-(2,2-dimethylpropyl)aniline
PubChem CID63425253
Molecular FormulaC11H14Cl3N
Molecular Weight266.60 g/mol
Exact Mass265.02
IUPAC Name2,4,6-trichloro-N-(2,2-dimethylpropyl)aniline
SMILESCC(C)(C)CNc1c(Cl)cc(Cl)cc1Cl
InChIInChI=1S/C11H14Cl3N/c1-11(2,3)6-15-10-8(13)4-7(12)5-9(10)14/h4-5,15H,6H2,1-3H3
InChIKeyYPHFOJSECWLCDG-UHFFFAOYSA-N
XLogP5.10
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500266.60
LogP ≤ 55.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2,4,6-trichloro-N-(2,2-dimethylpropyl)aniline?
The IUPAC name of 2,4,6-trichloro-N-(2,2-dimethylpropyl)aniline (CID 63425253) is 2,4,6-trichloro-N-(2,2-dimethylpropyl)aniline.
What is the SMILES notation for 2,4,6-trichloro-N-(2,2-dimethylpropyl)aniline?
The canonical SMILES for 2,4,6-trichloro-N-(2,2-dimethylpropyl)aniline is CC(C)(C)CNc1c(Cl)cc(Cl)cc1Cl.
What is the InChIKey of 2,4,6-trichloro-N-(2,2-dimethylpropyl)aniline?
The InChIKey is YPHFOJSECWLCDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14Cl3N/c1-11(2,3)6-15-10-8(13)4-7(12)5-9(10)14/h4-5,15H,6H2,1-3H3.
What are the key properties of 2,4,6-trichloro-N-(2,2-dimethylpropyl)aniline?
2,4,6-trichloro-N-(2,2-dimethylpropyl)aniline has a molecular weight of 266.60 g/mol, XLogP of 5.10, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4,6-trichloro-N-(2,2-dimethylpropyl)aniline is sourced from PubChem (CID 63425253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).