5-chloro-N-(2-methylcyclohexyl)-2-nitroaniline

C13H17ClN2O2 — CID 43686013

IUPAC5-chloro-N-(2-methylcyclohexyl)-2-nitroaniline
SMILESCC1CCCCC1Nc1cc(Cl)ccc1[N+](=O)[O-]
InChIInChI=1S/C13H17ClN2O2/c1-9-4-2-3-5-11(9)15-12-8-10(14)6-7-13(12)16(17)18/h6-9,11,15H,2-5H2,1H3
InChIKeyQKZBRIHZLKATMP-UHFFFAOYSA-N
MW268.74 g/mol
LogP4.24
Rot. Bonds3

About 5-chloro-N-(2-methylcyclohexyl)-2-nitroaniline

5-chloro-N-(2-methylcyclohexyl)-2-nitroaniline (PubChem CID 43686013) has the molecular formula C13H17ClN2O2 and a molecular weight of 268.74 g/mol. Its IUPAC name is 5-chloro-N-(2-methylcyclohexyl)-2-nitroaniline.

Molecular Properties

Compound Name5-chloro-N-(2-methylcyclohexyl)-2-nitroaniline
PubChem CID43686013
Molecular FormulaC13H17ClN2O2
Molecular Weight268.74 g/mol
Exact Mass268.10
IUPAC Name5-chloro-N-(2-methylcyclohexyl)-2-nitroaniline
SMILESCC1CCCCC1Nc1cc(Cl)ccc1[N+](=O)[O-]
InChIInChI=1S/C13H17ClN2O2/c1-9-4-2-3-5-11(9)15-12-8-10(14)6-7-13(12)16(17)18/h6-9,11,15H,2-5H2,1H3
InChIKeyQKZBRIHZLKATMP-UHFFFAOYSA-N
XLogP4.24
TPSA55.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.74
LogP ≤ 54.24
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

5-bromo-N-(2-methylcyclohexyl)-2-nitroaniline
CID 65341912
N-(5-chloro-2-nitrophenyl)cycloheptanamine
CID 22922481
5-chloro-N-(3,4-dimethylcyclohexyl)-2-nitroaniline
CID 64733980
5-bromo-4-fluoro-N-(2-methylcyclohexyl)-2-nitroaniline
CID 116736905
N-[(4-chloro-2-nitrophenyl)methyl]-2-methylcyclohexan-1-amine
CID 62102230
4-[(2-methylcyclohexyl)amino]-3-nitrobenzonitrile
CID 16960023
2,4-dimethyl-N-(2-methylcyclohexyl)-5-nitroaniline
CID 104757489
4-[(2-methylcyclohexyl)amino]-3-nitrobenzaldehyde
CID 78907044
5-bromo-4-fluoro-N-(2-methylcyclopentyl)-2-nitroaniline
CID 116737141
5-bromo-N-(2,3-dimethylcyclohexyl)-2-nitroaniline
CID 65341865
4-chloro-N-(2-ethylcyclohexyl)-2-nitroaniline
CID 55223833
N-(5-chloro-2-nitrophenyl)-1-oxothian-4-amine
CID 54981715

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-(2-methylcyclohexyl)-2-nitroaniline?
The IUPAC name of 5-chloro-N-(2-methylcyclohexyl)-2-nitroaniline (CID 43686013) is 5-chloro-N-(2-methylcyclohexyl)-2-nitroaniline.
What is the SMILES notation for 5-chloro-N-(2-methylcyclohexyl)-2-nitroaniline?
The canonical SMILES for 5-chloro-N-(2-methylcyclohexyl)-2-nitroaniline is CC1CCCCC1Nc1cc(Cl)ccc1[N+](=O)[O-].
What is the InChIKey of 5-chloro-N-(2-methylcyclohexyl)-2-nitroaniline?
The InChIKey is QKZBRIHZLKATMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17ClN2O2/c1-9-4-2-3-5-11(9)15-12-8-10(14)6-7-13(12)16(17)18/h6-9,11,15H,2-5H2,1H3.
What are the key properties of 5-chloro-N-(2-methylcyclohexyl)-2-nitroaniline?
5-chloro-N-(2-methylcyclohexyl)-2-nitroaniline has a molecular weight of 268.74 g/mol, XLogP of 4.24, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-(2-methylcyclohexyl)-2-nitroaniline is sourced from PubChem (CID 43686013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).