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

C15H21ClN2O2 — CID 115555784

IUPAC5-chloro-N-(2-ethylcyclohexyl)-2-methyl-4-nitroaniline
SMILESCCC1CCCCC1Nc1cc(Cl)c([N+](=O)[O-])cc1C
InChIInChI=1S/C15H21ClN2O2/c1-3-11-6-4-5-7-13(11)17-14-9-12(16)15(18(19)20)8-10(14)2/h8-9,11,13,17H,3-7H2,1-2H3
InChIKeyLAAAQUHCPFMDGC-UHFFFAOYSA-N
MW296.80 g/mol
LogP4.94
Rot. Bonds4

About 5-chloro-N-(2-ethylcyclohexyl)-2-methyl-4-nitroaniline

5-chloro-N-(2-ethylcyclohexyl)-2-methyl-4-nitroaniline (PubChem CID 115555784) has the molecular formula C15H21ClN2O2 and a molecular weight of 296.80 g/mol. Its IUPAC name is 5-chloro-N-(2-ethylcyclohexyl)-2-methyl-4-nitroaniline.

Molecular Properties

Compound Name5-chloro-N-(2-ethylcyclohexyl)-2-methyl-4-nitroaniline
PubChem CID115555784
Molecular FormulaC15H21ClN2O2
Molecular Weight296.80 g/mol
Exact Mass296.13
IUPAC Name5-chloro-N-(2-ethylcyclohexyl)-2-methyl-4-nitroaniline
SMILESCCC1CCCCC1Nc1cc(Cl)c([N+](=O)[O-])cc1C
InChIInChI=1S/C15H21ClN2O2/c1-3-11-6-4-5-7-13(11)17-14-9-12(16)15(18(19)20)8-10(14)2/h8-9,11,13,17H,3-7H2,1-2H3
InChIKeyLAAAQUHCPFMDGC-UHFFFAOYSA-N
XLogP4.94
TPSA55.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.80
LogP ≤ 54.94
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

N-(5-chloro-2-methyl-4-nitrophenyl)cyclooctanamine
CID 115555651
4-chloro-N-(2-ethylcyclohexyl)-2-nitroaniline
CID 55223833
5-chloro-N-(3-ethylcyclohexyl)-2-methyl-4-nitroaniline
CID 115555954
N-(2-ethylcyclohexyl)-2-methyl-3-nitroaniline
CID 63541805
N-(2-ethylcyclopentyl)-2-methyl-5-nitroaniline
CID 113483374
5-chloro-N-(cycloheptylmethyl)-2-methyl-4-nitroaniline
CID 104667823
5-chloro-2-methyl-N-[(2-methylcyclopentyl)methyl]-4-nitroaniline
CID 107419302
5-chloro-N-(4,4-dimethylcyclohexyl)-2-methyl-4-nitroaniline
CID 115555935
4-(5-chloro-2-methyl-4-nitroanilino)cyclohexane-1-carboxylic acid
CID 115555381
cis-(1R,3S)-3-(5-chloro-2-methyl-4-nitroanilino)cyclopentane-1-carboxylic acid
CID 106322001
[2-(2-bromo-5-methyl-4-nitroanilino)cyclohexyl]methanol
CID 106362293
5-chloro-2-methyl-4-nitro-N-(3-propan-2-ylcyclobutyl)aniline
CID 103562331

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-(2-ethylcyclohexyl)-2-methyl-4-nitroaniline?
The IUPAC name of 5-chloro-N-(2-ethylcyclohexyl)-2-methyl-4-nitroaniline (CID 115555784) is 5-chloro-N-(2-ethylcyclohexyl)-2-methyl-4-nitroaniline.
What is the SMILES notation for 5-chloro-N-(2-ethylcyclohexyl)-2-methyl-4-nitroaniline?
The canonical SMILES for 5-chloro-N-(2-ethylcyclohexyl)-2-methyl-4-nitroaniline is CCC1CCCCC1Nc1cc(Cl)c([N+](=O)[O-])cc1C.
What is the InChIKey of 5-chloro-N-(2-ethylcyclohexyl)-2-methyl-4-nitroaniline?
The InChIKey is LAAAQUHCPFMDGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21ClN2O2/c1-3-11-6-4-5-7-13(11)17-14-9-12(16)15(18(19)20)8-10(14)2/h8-9,11,13,17H,3-7H2,1-2H3.
What are the key properties of 5-chloro-N-(2-ethylcyclohexyl)-2-methyl-4-nitroaniline?
5-chloro-N-(2-ethylcyclohexyl)-2-methyl-4-nitroaniline has a molecular weight of 296.80 g/mol, XLogP of 4.94, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-(2-ethylcyclohexyl)-2-methyl-4-nitroaniline is sourced from PubChem (CID 115555784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).