5-chloro-N-(3,4-dimethylcyclohexyl)-2-nitroaniline

C14H19ClN2O2 — CID 64733980

IUPAC5-chloro-N-(3,4-dimethylcyclohexyl)-2-nitroaniline
SMILESCC1CCC(Nc2cc(Cl)ccc2[N+](=O)[O-])CC1C
InChIInChI=1S/C14H19ClN2O2/c1-9-3-5-12(7-10(9)2)16-13-8-11(15)4-6-14(13)17(18)19/h4,6,8-10,12,16H,3,5,7H2,1-2H3
InChIKeyGLPUXIVBKBKSJE-UHFFFAOYSA-N
MW282.77 g/mol
LogP4.48
Rot. Bonds3

About 5-chloro-N-(3,4-dimethylcyclohexyl)-2-nitroaniline

5-chloro-N-(3,4-dimethylcyclohexyl)-2-nitroaniline (PubChem CID 64733980) has the molecular formula C14H19ClN2O2 and a molecular weight of 282.77 g/mol. Its IUPAC name is 5-chloro-N-(3,4-dimethylcyclohexyl)-2-nitroaniline.

Molecular Properties

Compound Name5-chloro-N-(3,4-dimethylcyclohexyl)-2-nitroaniline
PubChem CID64733980
Molecular FormulaC14H19ClN2O2
Molecular Weight282.77 g/mol
Exact Mass282.11
IUPAC Name5-chloro-N-(3,4-dimethylcyclohexyl)-2-nitroaniline
SMILESCC1CCC(Nc2cc(Cl)ccc2[N+](=O)[O-])CC1C
InChIInChI=1S/C14H19ClN2O2/c1-9-3-5-12(7-10(9)2)16-13-8-11(15)4-6-14(13)17(18)19/h4,6,8-10,12,16H,3,5,7H2,1-2H3
InChIKeyGLPUXIVBKBKSJE-UHFFFAOYSA-N
XLogP4.48
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 ≤ 54.48
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-nitrophenyl)cycloheptanamine
CID 22922481
5-chloro-N-(2-methylcyclohexyl)-2-nitroaniline
CID 43686013
N-(5-chloro-2-nitrophenyl)-1-oxothian-4-amine
CID 54981715
4-chloro-N-(3-methylcyclohexyl)-2-nitroaniline
CID 43317145
4-[(3,4-dimethylcyclohexyl)amino]-3-nitrobenzamide
CID 64743861
4-bromo-N-(3,4-dimethylcyclohexyl)-3-nitroaniline
CID 79768143
N-cyclopropyl-5-iodo-2-nitroaniline
CID 129089634
N-(3,4-dimethylcyclohexyl)-2-methyl-6-nitroaniline
CID 115551488
methyl 5-chloro-2-[(3,4-dimethylcyclohexyl)amino]benzoate
CID 64733383
N-(4-chloro-2-nitrophenyl)-4-methylcycloheptan-1-amine
CID 65081347
(3,4-dimethylcyclohexyl) 5-chloro-2-nitrobenzoate
CID 64744369
N-(3,4-dimethylcyclohexyl)-2-fluoro-5-methylsulfonylaniline
CID 64734538

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-(3,4-dimethylcyclohexyl)-2-nitroaniline?
The IUPAC name of 5-chloro-N-(3,4-dimethylcyclohexyl)-2-nitroaniline (CID 64733980) is 5-chloro-N-(3,4-dimethylcyclohexyl)-2-nitroaniline.
What is the SMILES notation for 5-chloro-N-(3,4-dimethylcyclohexyl)-2-nitroaniline?
The canonical SMILES for 5-chloro-N-(3,4-dimethylcyclohexyl)-2-nitroaniline is CC1CCC(Nc2cc(Cl)ccc2[N+](=O)[O-])CC1C.
What is the InChIKey of 5-chloro-N-(3,4-dimethylcyclohexyl)-2-nitroaniline?
The InChIKey is GLPUXIVBKBKSJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19ClN2O2/c1-9-3-5-12(7-10(9)2)16-13-8-11(15)4-6-14(13)17(18)19/h4,6,8-10,12,16H,3,5,7H2,1-2H3.
What are the key properties of 5-chloro-N-(3,4-dimethylcyclohexyl)-2-nitroaniline?
5-chloro-N-(3,4-dimethylcyclohexyl)-2-nitroaniline has a molecular weight of 282.77 g/mol, XLogP of 4.48, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-(3,4-dimethylcyclohexyl)-2-nitroaniline is sourced from PubChem (CID 64733980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).