2,4,5-trichloro-N-(1-cyclohexylethyl)aniline

C14H18Cl3N — CID 63419239

IUPAC2,4,5-trichloro-N-(1-cyclohexylethyl)aniline
SMILESCC(Nc1cc(Cl)c(Cl)cc1Cl)C1CCCCC1
InChIInChI=1S/C14H18Cl3N/c1-9(10-5-3-2-4-6-10)18-14-8-12(16)11(15)7-13(14)17/h7-10,18H,2-6H2,1H3
InChIKeyHEWCLJKPHBEILY-UHFFFAOYSA-N
MW306.66 g/mol
LogP6.03
Rot. Bonds3

About 2,4,5-trichloro-N-(1-cyclohexylethyl)aniline

2,4,5-trichloro-N-(1-cyclohexylethyl)aniline (PubChem CID 63419239) has the molecular formula C14H18Cl3N and a molecular weight of 306.66 g/mol. Its IUPAC name is 2,4,5-trichloro-N-(1-cyclohexylethyl)aniline.

Molecular Properties

Compound Name2,4,5-trichloro-N-(1-cyclohexylethyl)aniline
PubChem CID63419239
Molecular FormulaC14H18Cl3N
Molecular Weight306.66 g/mol
Exact Mass305.05
IUPAC Name2,4,5-trichloro-N-(1-cyclohexylethyl)aniline
SMILESCC(Nc1cc(Cl)c(Cl)cc1Cl)C1CCCCC1
InChIInChI=1S/C14H18Cl3N/c1-9(10-5-3-2-4-6-10)18-14-8-12(16)11(15)7-13(14)17/h7-10,18H,2-6H2,1H3
InChIKeyHEWCLJKPHBEILY-UHFFFAOYSA-N
XLogP6.03
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500306.66
LogP ≤ 56.03
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

6-chloro-5-(1-cyclopentylethylamino)-1,3-dihydroindol-2-one
CID 62633530
methyl 4-chloro-3-(1-cyclohexylethylamino)benzoate
CID 43784631
3-chloro-1-N-(1-cyclohexylethyl)benzene-1,2-diamine
CID 113458617
2,4,5-trichloro-N-cyclohexylaniline
CID 28553160
3-chloro-N-(1-cyclopentylethyl)pyridin-4-amine
CID 79840715
4-chloro-N-(1-cyclohexylethyl)-3-fluoroaniline
CID 43786160
N-(1-cyclohexylethyl)-2,4-dimethylaniline
CID 43755727
N-(1-cyclohexylethyl)-2,3,5-trifluoroaniline
CID 55193341
3-chloro-N-(1-cyclohexylethyl)aniline
CID 43762066
2,5-dibromo-N-(1-cyclohexylethyl)aniline
CID 43789277
4-chloro-2-(1-cyclopentylethylamino)benzonitrile
CID 62632984
2-chloro-N-(1-cyclopentylethyl)pyridin-3-amine
CID 62633166

Frequently Asked Questions

What is the IUPAC name of 2,4,5-trichloro-N-(1-cyclohexylethyl)aniline?
The IUPAC name of 2,4,5-trichloro-N-(1-cyclohexylethyl)aniline (CID 63419239) is 2,4,5-trichloro-N-(1-cyclohexylethyl)aniline.
What is the SMILES notation for 2,4,5-trichloro-N-(1-cyclohexylethyl)aniline?
The canonical SMILES for 2,4,5-trichloro-N-(1-cyclohexylethyl)aniline is CC(Nc1cc(Cl)c(Cl)cc1Cl)C1CCCCC1.
What is the InChIKey of 2,4,5-trichloro-N-(1-cyclohexylethyl)aniline?
The InChIKey is HEWCLJKPHBEILY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18Cl3N/c1-9(10-5-3-2-4-6-10)18-14-8-12(16)11(15)7-13(14)17/h7-10,18H,2-6H2,1H3.
What are the key properties of 2,4,5-trichloro-N-(1-cyclohexylethyl)aniline?
2,4,5-trichloro-N-(1-cyclohexylethyl)aniline has a molecular weight of 306.66 g/mol, XLogP of 6.03, 3 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-(1-cyclohexylethyl)aniline is sourced from PubChem (CID 63419239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).