4-chloro-N-(2-ethylcyclohexyl)-2-nitroaniline

C14H19ClN2O2 — CID 55223833

IUPAC4-chloro-N-(2-ethylcyclohexyl)-2-nitroaniline
SMILESCCC1CCCCC1Nc1ccc(Cl)cc1[N+](=O)[O-]
InChIInChI=1S/C14H19ClN2O2/c1-2-10-5-3-4-6-12(10)16-13-8-7-11(15)9-14(13)17(18)19/h7-10,12,16H,2-6H2,1H3
InChIKeyDERQBZQLBBEKEC-UHFFFAOYSA-N
MW282.77 g/mol
LogP4.63
Rot. Bonds4

About 4-chloro-N-(2-ethylcyclohexyl)-2-nitroaniline

4-chloro-N-(2-ethylcyclohexyl)-2-nitroaniline (PubChem CID 55223833) has the molecular formula C14H19ClN2O2 and a molecular weight of 282.77 g/mol. Its IUPAC name is 4-chloro-N-(2-ethylcyclohexyl)-2-nitroaniline.

Molecular Properties

Compound Name4-chloro-N-(2-ethylcyclohexyl)-2-nitroaniline
PubChem CID55223833
Molecular FormulaC14H19ClN2O2
Molecular Weight282.77 g/mol
Exact Mass282.11
IUPAC Name4-chloro-N-(2-ethylcyclohexyl)-2-nitroaniline
SMILESCCC1CCCCC1Nc1ccc(Cl)cc1[N+](=O)[O-]
InChIInChI=1S/C14H19ClN2O2/c1-2-10-5-3-4-6-12(10)16-13-8-7-11(15)9-14(13)17(18)19/h7-10,12,16H,2-6H2,1H3
InChIKeyDERQBZQLBBEKEC-UHFFFAOYSA-N
XLogP4.63
TPSA55.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.77
LogP ≤ 54.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2,4-dichloro-N-(2-ethylcyclohexyl)aniline
CID 55256942
5-chloro-N-(2-ethylcyclohexyl)-2-methyl-4-nitroaniline
CID 115555784
4-chloro-N-(2-methylsulfanylcyclopentyl)-2-nitroaniline
CID 103703976
N-(2-ethylcyclohexyl)-2-methyl-3-nitroaniline
CID 63541805
[2-(4-methyl-2-nitroanilino)cyclohexyl]methanol
CID 103846647
5-chloro-N-(2-methylcyclohexyl)-2-nitroaniline
CID 43686013
2-[2-(4-methyl-2-nitroanilino)cyclopentyl]ethanol
CID 133496300
2-(difluoromethyl)-N-(2-ethylcyclohexyl)-4-nitroaniline
CID 63735458
N-(4-chloro-2-nitrophenyl)-4-methylcycloheptan-1-amine
CID 65081347
4-chloro-N-(3-methylcyclohexyl)-2-nitroaniline
CID 43317145
N-(2-ethylcyclopentyl)-2-methyl-5-nitroaniline
CID 113483374
N-[2-(aminomethyl)cyclohexyl]-4-fluoro-5-methyl-2-nitroaniline
CID 103594201

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-(2-ethylcyclohexyl)-2-nitroaniline?
The IUPAC name of 4-chloro-N-(2-ethylcyclohexyl)-2-nitroaniline (CID 55223833) is 4-chloro-N-(2-ethylcyclohexyl)-2-nitroaniline.
What is the SMILES notation for 4-chloro-N-(2-ethylcyclohexyl)-2-nitroaniline?
The canonical SMILES for 4-chloro-N-(2-ethylcyclohexyl)-2-nitroaniline is CCC1CCCCC1Nc1ccc(Cl)cc1[N+](=O)[O-].
What is the InChIKey of 4-chloro-N-(2-ethylcyclohexyl)-2-nitroaniline?
The InChIKey is DERQBZQLBBEKEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19ClN2O2/c1-2-10-5-3-4-6-12(10)16-13-8-7-11(15)9-14(13)17(18)19/h7-10,12,16H,2-6H2,1H3.
What are the key properties of 4-chloro-N-(2-ethylcyclohexyl)-2-nitroaniline?
4-chloro-N-(2-ethylcyclohexyl)-2-nitroaniline has a molecular weight of 282.77 g/mol, XLogP of 4.63, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-(2-ethylcyclohexyl)-2-nitroaniline is sourced from PubChem (CID 55223833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).