2-chloro-N-(2,2-dimethylcyclohexyl)-6-nitroaniline

C14H19ClN2O2 — CID 79870217

IUPAC2-chloro-N-(2,2-dimethylcyclohexyl)-6-nitroaniline
SMILESCC1(C)CCCCC1Nc1c(Cl)cccc1[N+](=O)[O-]
InChIInChI=1S/C14H19ClN2O2/c1-14(2)9-4-3-8-12(14)16-13-10(15)6-5-7-11(13)17(18)19/h5-7,12,16H,3-4,8-9H2,1-2H3
InChIKeyYMEBDMOUZXUIMO-UHFFFAOYSA-N
MW282.77 g/mol
LogP4.63
Rot. Bonds3

About 2-chloro-N-(2,2-dimethylcyclohexyl)-6-nitroaniline

2-chloro-N-(2,2-dimethylcyclohexyl)-6-nitroaniline (PubChem CID 79870217) has the molecular formula C14H19ClN2O2 and a molecular weight of 282.77 g/mol. Its IUPAC name is 2-chloro-N-(2,2-dimethylcyclohexyl)-6-nitroaniline.

Molecular Properties

Compound Name2-chloro-N-(2,2-dimethylcyclohexyl)-6-nitroaniline
PubChem CID79870217
Molecular FormulaC14H19ClN2O2
Molecular Weight282.77 g/mol
Exact Mass282.11
IUPAC Name2-chloro-N-(2,2-dimethylcyclohexyl)-6-nitroaniline
SMILESCC1(C)CCCCC1Nc1c(Cl)cccc1[N+](=O)[O-]
InChIInChI=1S/C14H19ClN2O2/c1-14(2)9-4-3-8-12(14)16-13-10(15)6-5-7-11(13)17(18)19/h5-7,12,16H,3-4,8-9H2,1-2H3
InChIKeyYMEBDMOUZXUIMO-UHFFFAOYSA-N
XLogP4.63
TPSA55.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
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-chloro-N-cyclobutyl-6-nitroaniline
CID 62416552
N-(2,2-dimethylcyclopentyl)-2-methyl-3-nitroaniline
CID 79859590
2-chloro-N-(2,2-dimethylcyclohexyl)-4-nitroaniline
CID 79828883
6-chloro-N-(2,2-dimethylcyclohexyl)-4-nitropyridin-2-amine
CID 114070861
N-(2,2-dimethylcyclohexyl)-2,4-difluoro-5-nitroaniline
CID 79828572
N-(2,2-dimethylcyclohexyl)-6-methyl-3-nitropyridin-2-amine
CID 81139047
N-(2-chloro-6-nitrophenyl)-9-methyl-9-azabicyclo[3.3.1]nonan-3-amine
CID 53302995
3-chloro-N-(2,2-dimethylcyclohexyl)-4-nitrobenzamide
CID 82778025
N-[(5-chloro-2-nitrophenyl)methyl]-2,2-dimethylcyclohexan-1-amine
CID 79871366
2-chloro-N-[(2-methylcyclohexyl)methyl]-6-nitroaniline
CID 55224392
N-(2,2-dimethylcyclopentyl)-4-nitroaniline
CID 79859591
N-(2,2-dimethylcyclohexyl)-2-methyl-4-nitroaniline
CID 79828651

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(2,2-dimethylcyclohexyl)-6-nitroaniline?
The IUPAC name of 2-chloro-N-(2,2-dimethylcyclohexyl)-6-nitroaniline (CID 79870217) is 2-chloro-N-(2,2-dimethylcyclohexyl)-6-nitroaniline.
What is the SMILES notation for 2-chloro-N-(2,2-dimethylcyclohexyl)-6-nitroaniline?
The canonical SMILES for 2-chloro-N-(2,2-dimethylcyclohexyl)-6-nitroaniline is CC1(C)CCCCC1Nc1c(Cl)cccc1[N+](=O)[O-].
What is the InChIKey of 2-chloro-N-(2,2-dimethylcyclohexyl)-6-nitroaniline?
The InChIKey is YMEBDMOUZXUIMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19ClN2O2/c1-14(2)9-4-3-8-12(14)16-13-10(15)6-5-7-11(13)17(18)19/h5-7,12,16H,3-4,8-9H2,1-2H3.
What are the key properties of 2-chloro-N-(2,2-dimethylcyclohexyl)-6-nitroaniline?
2-chloro-N-(2,2-dimethylcyclohexyl)-6-nitroaniline has a molecular weight of 282.77 g/mol, XLogP of 4.63, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(2,2-dimethylcyclohexyl)-6-nitroaniline is sourced from PubChem (CID 79870217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).