3-chloro-N-(1-cyclohexylethyl)-4-nitroaniline

C14H19ClN2O2 — CID 82864806

IUPAC3-chloro-N-(1-cyclohexylethyl)-4-nitroaniline
SMILESCC(Nc1ccc([N+](=O)[O-])c(Cl)c1)C1CCCCC1
InChIInChI=1S/C14H19ClN2O2/c1-10(11-5-3-2-4-6-11)16-12-7-8-14(17(18)19)13(15)9-12/h7-11,16H,2-6H2,1H3
InChIKeyWRIPGPKUOGGLJS-UHFFFAOYSA-N
MW282.77 g/mol
LogP4.63
Rot. Bonds4

About 3-chloro-N-(1-cyclohexylethyl)-4-nitroaniline

3-chloro-N-(1-cyclohexylethyl)-4-nitroaniline (PubChem CID 82864806) has the molecular formula C14H19ClN2O2 and a molecular weight of 282.77 g/mol. Its IUPAC name is 3-chloro-N-(1-cyclohexylethyl)-4-nitroaniline.

Molecular Properties

Compound Name3-chloro-N-(1-cyclohexylethyl)-4-nitroaniline
PubChem CID82864806
Molecular FormulaC14H19ClN2O2
Molecular Weight282.77 g/mol
Exact Mass282.11
IUPAC Name3-chloro-N-(1-cyclohexylethyl)-4-nitroaniline
SMILESCC(Nc1ccc([N+](=O)[O-])c(Cl)c1)C1CCCCC1
InChIInChI=1S/C14H19ClN2O2/c1-10(11-5-3-2-4-6-11)16-12-7-8-14(17(18)19)13(15)9-12/h7-11,16H,2-6H2,1H3
InChIKeyWRIPGPKUOGGLJS-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

4-bromo-N-(1-cyclohexylethyl)-3-nitroaniline
CID 79767906
N-(1-cyclobutylethyl)-3-methyl-4-nitroaniline
CID 115766646
3-chloro-N-(1-cyclohexylethyl)-4-nitrobenzenesulfonamide
CID 167339915
3-chloro-4-nitro-N-(4-propan-2-ylcyclohexyl)aniline
CID 82864304
1-N-(1-cyclopropylethyl)-4-nitrobenzene-1,3-diamine
CID 106748983
3-chloro-N-(1-cyclopentylethyl)-4-nitrobenzamide
CID 82780449
6-chloro-N-(1-cyclohexylethyl)-3-nitropyridin-2-amine
CID 63549430
4-chloro-N-(1-cyclohexylethyl)-3-fluoroaniline
CID 43786160
2,6-dichloro-N-(1-cyclopentylethyl)-4-nitroaniline
CID 106891570
3,4-dichloro-N-(1-cyclopropylethyl)aniline
CID 43110972
N-(3-chloro-4-nitrophenyl)-2-propan-2-yloxan-4-amine
CID 82865046
N-(1-cyclohexylethyl)-2,5-dimethyl-4-nitroaniline
CID 103145121

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-(1-cyclohexylethyl)-4-nitroaniline?
The IUPAC name of 3-chloro-N-(1-cyclohexylethyl)-4-nitroaniline (CID 82864806) is 3-chloro-N-(1-cyclohexylethyl)-4-nitroaniline.
What is the SMILES notation for 3-chloro-N-(1-cyclohexylethyl)-4-nitroaniline?
The canonical SMILES for 3-chloro-N-(1-cyclohexylethyl)-4-nitroaniline is CC(Nc1ccc([N+](=O)[O-])c(Cl)c1)C1CCCCC1.
What is the InChIKey of 3-chloro-N-(1-cyclohexylethyl)-4-nitroaniline?
The InChIKey is WRIPGPKUOGGLJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19ClN2O2/c1-10(11-5-3-2-4-6-11)16-12-7-8-14(17(18)19)13(15)9-12/h7-11,16H,2-6H2,1H3.
What are the key properties of 3-chloro-N-(1-cyclohexylethyl)-4-nitroaniline?
3-chloro-N-(1-cyclohexylethyl)-4-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 3-chloro-N-(1-cyclohexylethyl)-4-nitroaniline is sourced from PubChem (CID 82864806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).