2,4,5-trichloro-N-cyclohexylaniline

C12H14Cl3N — CID 28553160

IUPAC2,4,5-trichloro-N-cyclohexylaniline
SMILESClc1cc(Cl)c(NC2CCCCC2)cc1Cl
InChIInChI=1S/C12H14Cl3N/c13-9-6-11(15)12(7-10(9)14)16-8-4-2-1-3-5-8/h6-8,16H,1-5H2
InChIKeyMMKSJAJQDWHJKZ-UHFFFAOYSA-N
MW278.61 g/mol
LogP5.39
Rot. Bonds2

About 2,4,5-trichloro-N-cyclohexylaniline

2,4,5-trichloro-N-cyclohexylaniline (PubChem CID 28553160) has the molecular formula C12H14Cl3N and a molecular weight of 278.61 g/mol. Its IUPAC name is 2,4,5-trichloro-N-cyclohexylaniline.

Molecular Properties

Compound Name2,4,5-trichloro-N-cyclohexylaniline
PubChem CID28553160
Molecular FormulaC12H14Cl3N
Molecular Weight278.61 g/mol
Exact Mass277.02
IUPAC Name2,4,5-trichloro-N-cyclohexylaniline
SMILESClc1cc(Cl)c(NC2CCCCC2)cc1Cl
InChIInChI=1S/C12H14Cl3N/c13-9-6-11(15)12(7-10(9)14)16-8-4-2-1-3-5-8/h6-8,16H,1-5H2
InChIKeyMMKSJAJQDWHJKZ-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

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

2,5-dichloro-N-cyclopentyl-4-methylaniline
CID 104726288
N-(5-bromo-2-chlorophenyl)cycloheptanamine
CID 63477399
2-(cyclohexylamino)-N-(2,4,5-trichlorophenyl)acetamide
CID 54815310
2,5-dichloro-N-cyclopropyl-4-methylaniline
CID 103439355
5-chloro-1-N-cyclohexyl-2,3-dimethylbenzene-1,4-diamine
CID 91672006
2,4,5-trichloro-N-(1-cyclohexylethyl)aniline
CID 63419239
4-chloro-3-(cyclohexylamino)benzenesulfonamide
CID 43745858
2-chloro-N-cyclohexyl-5-methylsulfonylaniline
CID 43682135
4-chloro-N-cyclohexyl-2-fluoroaniline
CID 43716554
4-chloro-N-cyclohexyl-2-iodoaniline
CID 107631445
3-chloro-N-cyclohexyl-2-fluoroaniline
CID 28968819
1-cyclohexyl-3-[2,5-dichloro-4-(cyclohexylcarbamoylamino)phenyl]urea
CID 4253311

Frequently Asked Questions

What is the IUPAC name of 2,4,5-trichloro-N-cyclohexylaniline?
The IUPAC name of 2,4,5-trichloro-N-cyclohexylaniline (CID 28553160) is 2,4,5-trichloro-N-cyclohexylaniline.
What is the SMILES notation for 2,4,5-trichloro-N-cyclohexylaniline?
The canonical SMILES for 2,4,5-trichloro-N-cyclohexylaniline is Clc1cc(Cl)c(NC2CCCCC2)cc1Cl.
What is the InChIKey of 2,4,5-trichloro-N-cyclohexylaniline?
The InChIKey is MMKSJAJQDWHJKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14Cl3N/c13-9-6-11(15)12(7-10(9)14)16-8-4-2-1-3-5-8/h6-8,16H,1-5H2.
What are the key properties of 2,4,5-trichloro-N-cyclohexylaniline?
2,4,5-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 2,4,5-trichloro-N-cyclohexylaniline is sourced from PubChem (CID 28553160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).