N-(2-ethylcyclohexyl)-2-methyl-3-nitroaniline

C15H22N2O2 — CID 63541805

IUPACN-(2-ethylcyclohexyl)-2-methyl-3-nitroaniline
SMILESCCC1CCCCC1Nc1cccc([N+](=O)[O-])c1C
InChIInChI=1S/C15H22N2O2/c1-3-12-7-4-5-8-14(12)16-13-9-6-10-15(11(13)2)17(18)19/h6,9-10,12,14,16H,3-5,7-8H2,1-2H3
InChIKeyBUHZXSOEKDZYDG-UHFFFAOYSA-N
MW262.35 g/mol
LogP4.28
Rot. Bonds4

About N-(2-ethylcyclohexyl)-2-methyl-3-nitroaniline

N-(2-ethylcyclohexyl)-2-methyl-3-nitroaniline (PubChem CID 63541805) has the molecular formula C15H22N2O2 and a molecular weight of 262.35 g/mol. Its IUPAC name is N-(2-ethylcyclohexyl)-2-methyl-3-nitroaniline.

Molecular Properties

Compound NameN-(2-ethylcyclohexyl)-2-methyl-3-nitroaniline
PubChem CID63541805
Molecular FormulaC15H22N2O2
Molecular Weight262.35 g/mol
Exact Mass262.17
IUPAC NameN-(2-ethylcyclohexyl)-2-methyl-3-nitroaniline
SMILESCCC1CCCCC1Nc1cccc([N+](=O)[O-])c1C
InChIInChI=1S/C15H22N2O2/c1-3-12-7-4-5-8-14(12)16-13-9-6-10-15(11(13)2)17(18)19/h6,9-10,12,14,16H,3-5,7-8H2,1-2H3
InChIKeyBUHZXSOEKDZYDG-UHFFFAOYSA-N
XLogP4.28
TPSA55.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.35
LogP ≤ 54.28
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

1-N-(2-methyl-3-nitrophenyl)cycloheptane-1,2-diamine
CID 55167647
2-methyl-N-(2-methylsulfonylcyclopentyl)-3-nitroaniline
CID 65043985
N-(2-ethylcyclohexyl)-2-nitropyridin-3-amine
CID 113224726
4-chloro-N-(2-ethylcyclohexyl)-2-nitroaniline
CID 55223833
5-chloro-N-(2-ethylcyclohexyl)-2-methyl-4-nitroaniline
CID 115555784
N-(2-methyl-3-nitrophenyl)-1,2,3,5,6,7,8,8a-octahydroindolizin-1-amine
CID 63077089
N-(2-methyl-3-nitrophenyl)-4-propylcycloheptan-1-amine
CID 65086869
1-N-methyl-4-N-(2-methyl-3-nitrophenyl)cyclohexane-1,4-diamine
CID 79110564
N-(2-ethylcyclopentyl)-2-methyl-5-nitroaniline
CID 113483374
2-cyclopentyl-N-(2-methyl-3-nitrophenyl)acetamide
CID 9395610
N-(2-methyl-3-nitrophenyl)-3-azabicyclo[3.1.0]hexan-6-amine
CID 63077105
N-(2-methyl-3-nitrophenyl)piperidin-4-amine
CID 61016357

Frequently Asked Questions

What is the IUPAC name of N-(2-ethylcyclohexyl)-2-methyl-3-nitroaniline?
The IUPAC name of N-(2-ethylcyclohexyl)-2-methyl-3-nitroaniline (CID 63541805) is N-(2-ethylcyclohexyl)-2-methyl-3-nitroaniline.
What is the SMILES notation for N-(2-ethylcyclohexyl)-2-methyl-3-nitroaniline?
The canonical SMILES for N-(2-ethylcyclohexyl)-2-methyl-3-nitroaniline is CCC1CCCCC1Nc1cccc([N+](=O)[O-])c1C.
What is the InChIKey of N-(2-ethylcyclohexyl)-2-methyl-3-nitroaniline?
The InChIKey is BUHZXSOEKDZYDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O2/c1-3-12-7-4-5-8-14(12)16-13-9-6-10-15(11(13)2)17(18)19/h6,9-10,12,14,16H,3-5,7-8H2,1-2H3.
What are the key properties of N-(2-ethylcyclohexyl)-2-methyl-3-nitroaniline?
N-(2-ethylcyclohexyl)-2-methyl-3-nitroaniline has a molecular weight of 262.35 g/mol, XLogP of 4.28, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethylcyclohexyl)-2-methyl-3-nitroaniline is sourced from PubChem (CID 63541805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).