2,4,6-trichloro-N-cyclohexylaniline

C12H14Cl3N — CID 28992397

IUPAC2,4,6-trichloro-N-cyclohexylaniline
SMILESClc1cc(Cl)c(NC2CCCCC2)c(Cl)c1
InChIInChI=1S/C12H14Cl3N/c13-8-6-10(14)12(11(15)7-8)16-9-4-2-1-3-5-9/h6-7,9,16H,1-5H2
InChIKeyQEENNGLYGDYFGF-UHFFFAOYSA-N
MW278.61 g/mol
LogP5.39
Rot. Bonds2

About 2,4,6-trichloro-N-cyclohexylaniline

2,4,6-trichloro-N-cyclohexylaniline (PubChem CID 28992397) has the molecular formula C12H14Cl3N and a molecular weight of 278.61 g/mol. Its IUPAC name is 2,4,6-trichloro-N-cyclohexylaniline.

Molecular Properties

Compound Name2,4,6-trichloro-N-cyclohexylaniline
PubChem CID28992397
Molecular FormulaC12H14Cl3N
Molecular Weight278.61 g/mol
Exact Mass277.02
IUPAC Name2,4,6-trichloro-N-cyclohexylaniline
SMILESClc1cc(Cl)c(NC2CCCCC2)c(Cl)c1
InChIInChI=1S/C12H14Cl3N/c13-8-6-10(14)12(11(15)7-8)16-9-4-2-1-3-5-9/h6-7,9,16H,1-5H2
InChIKeyQEENNGLYGDYFGF-UHFFFAOYSA-N
XLogP5.39
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500278.61
LogP ≤ 55.39
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-cyclohexylaniline?
The IUPAC name of 2,4,6-trichloro-N-cyclohexylaniline (CID 28992397) is 2,4,6-trichloro-N-cyclohexylaniline.
What is the SMILES notation for 2,4,6-trichloro-N-cyclohexylaniline?
The canonical SMILES for 2,4,6-trichloro-N-cyclohexylaniline is Clc1cc(Cl)c(NC2CCCCC2)c(Cl)c1.
What is the InChIKey of 2,4,6-trichloro-N-cyclohexylaniline?
The InChIKey is QEENNGLYGDYFGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14Cl3N/c13-8-6-10(14)12(11(15)7-8)16-9-4-2-1-3-5-9/h6-7,9,16H,1-5H2.
What are the key properties of 2,4,6-trichloro-N-cyclohexylaniline?
2,4,6-trichloro-N-cyclohexylaniline has a molecular weight of 278.61 g/mol, XLogP of 5.39, 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-cyclohexylaniline is sourced from PubChem (CID 28992397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).