2,4-dichloro-N-(2-ethylcyclohexyl)aniline

C14H19Cl2N — CID 55256942

IUPAC2,4-dichloro-N-(2-ethylcyclohexyl)aniline
SMILESCCC1CCCCC1Nc1ccc(Cl)cc1Cl
InChIInChI=1S/C14H19Cl2N/c1-2-10-5-3-4-6-13(10)17-14-8-7-11(15)9-12(14)16/h7-10,13,17H,2-6H2,1H3
InChIKeyAAQHQNAHCIUQOD-UHFFFAOYSA-N
MW272.22 g/mol
LogP5.37
Rot. Bonds3

About 2,4-dichloro-N-(2-ethylcyclohexyl)aniline

2,4-dichloro-N-(2-ethylcyclohexyl)aniline (PubChem CID 55256942) has the molecular formula C14H19Cl2N and a molecular weight of 272.22 g/mol. Its IUPAC name is 2,4-dichloro-N-(2-ethylcyclohexyl)aniline.

Molecular Properties

Compound Name2,4-dichloro-N-(2-ethylcyclohexyl)aniline
PubChem CID55256942
Molecular FormulaC14H19Cl2N
Molecular Weight272.22 g/mol
Exact Mass271.09
IUPAC Name2,4-dichloro-N-(2-ethylcyclohexyl)aniline
SMILESCCC1CCCCC1Nc1ccc(Cl)cc1Cl
InChIInChI=1S/C14H19Cl2N/c1-2-10-5-3-4-6-13(10)17-14-8-7-11(15)9-12(14)16/h7-10,13,17H,2-6H2,1H3
InChIKeyAAQHQNAHCIUQOD-UHFFFAOYSA-N
XLogP5.37
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500272.22
LogP ≤ 55.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-chloro-N-(2-ethylcyclohexyl)-4-(trifluoromethyl)aniline
CID 63861238
2-chloro-N-(2-ethylcyclohexyl)aniline
CID 63863576
4-chloro-N-(2-ethylcyclohexyl)-2-nitroaniline
CID 55223833
N-(2-tert-butylcyclohexyl)-2,4-dichloroaniline
CID 55199009
3,5-dichloro-N-(2-ethylcyclohexyl)aniline
CID 55250831
2-(2,4-dichloroanilino)cyclohexane-1-carbonitrile
CID 62742203
3-chloro-N-(2-ethylcyclohexyl)-4-methylaniline
CID 63862474
2-chloro-4-[(2-ethylcyclohexyl)amino]phenol
CID 107678378
1-N-(2-ethylcyclohexyl)-2-(trifluoromethyl)benzene-1,4-diamine
CID 63402505
N-(2-ethylcyclohexyl)-4-methoxy-2-methylaniline
CID 63862489
N-(2-ethylcyclohexyl)-3,5-dimethylaniline
CID 63863762
2,6-dibromo-4-chloro-N-(2-ethylcyclopentyl)aniline
CID 114208972

Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-N-(2-ethylcyclohexyl)aniline?
The IUPAC name of 2,4-dichloro-N-(2-ethylcyclohexyl)aniline (CID 55256942) is 2,4-dichloro-N-(2-ethylcyclohexyl)aniline.
What is the SMILES notation for 2,4-dichloro-N-(2-ethylcyclohexyl)aniline?
The canonical SMILES for 2,4-dichloro-N-(2-ethylcyclohexyl)aniline is CCC1CCCCC1Nc1ccc(Cl)cc1Cl.
What is the InChIKey of 2,4-dichloro-N-(2-ethylcyclohexyl)aniline?
The InChIKey is AAQHQNAHCIUQOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19Cl2N/c1-2-10-5-3-4-6-13(10)17-14-8-7-11(15)9-12(14)16/h7-10,13,17H,2-6H2,1H3.
What are the key properties of 2,4-dichloro-N-(2-ethylcyclohexyl)aniline?
2,4-dichloro-N-(2-ethylcyclohexyl)aniline has a molecular weight of 272.22 g/mol, XLogP of 5.37, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dichloro-N-(2-ethylcyclohexyl)aniline is sourced from PubChem (CID 55256942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).