N-(1-ethylcyclohexyl)-2-nitroaniline

C14H20N2O2 — CID 171544439

IUPACN-(1-ethylcyclohexyl)-2-nitroaniline
SMILESCCC1(Nc2ccccc2[N+](=O)[O-])CCCCC1
InChIInChI=1S/C14H20N2O2/c1-2-14(10-6-3-7-11-14)15-12-8-4-5-9-13(12)16(17)18/h4-5,8-9,15H,2-3,6-7,10-11H2,1H3
InChIKeyUVWRDQDQZYZBCM-UHFFFAOYSA-N
MW248.33 g/mol
LogP4.12
Rot. Bonds4

About N-(1-ethylcyclohexyl)-2-nitroaniline

N-(1-ethylcyclohexyl)-2-nitroaniline (PubChem CID 171544439) has the molecular formula C14H20N2O2 and a molecular weight of 248.33 g/mol. Its IUPAC name is N-(1-ethylcyclohexyl)-2-nitroaniline.

Molecular Properties

Compound NameN-(1-ethylcyclohexyl)-2-nitroaniline
PubChem CID171544439
Molecular FormulaC14H20N2O2
Molecular Weight248.33 g/mol
Exact Mass248.15
IUPAC NameN-(1-ethylcyclohexyl)-2-nitroaniline
SMILESCCC1(Nc2ccccc2[N+](=O)[O-])CCCCC1
InChIInChI=1S/C14H20N2O2/c1-2-14(10-6-3-7-11-14)15-12-8-4-5-9-13(12)16(17)18/h4-5,8-9,15H,2-3,6-7,10-11H2,1H3
InChIKeyUVWRDQDQZYZBCM-UHFFFAOYSA-N
XLogP4.12
TPSA55.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 54.12
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-chloro-N-(1-ethylcyclobutyl)-2-nitroaniline
CID 113488868
2-[1-(methylamino)cyclohexyl]-N-(2-nitrophenyl)acetamide
CID 65242627
N-[[1-[(dimethylamino)methyl]cyclopentyl]methyl]-2-nitroaniline
CID 133491716
2-[1-(4-methyl-2-nitroanilino)cyclohexyl]acetic acid
CID 64700603
N-(1-ethylcyclobutyl)-3-iodo-4-nitroaniline
CID 106493354
[1-(5-bromo-2-nitroanilino)cyclohexyl]methanol
CID 65343189
2-[methyl-[1-[(2-nitroanilino)methyl]cyclohexyl]amino]ethanol
CID 133313137
N-[1-(aminomethyl)cyclopentyl]-5-fluoro-2-nitroaniline
CID 63887235
[1-(4-bromo-2-nitroanilino)cyclopentyl]methanol
CID 62518867
[1-[3-(methylamino)-2-nitroanilino]cyclopentyl]methanol
CID 80832784
azane;2-nitro-N-propan-2-ylaniline
CID 174872000
N-[1-(hydroxymethyl)cyclohexyl]-2-(2-nitrophenyl)acetamide
CID 62521825

Frequently Asked Questions

What is the IUPAC name of N-(1-ethylcyclohexyl)-2-nitroaniline?
The IUPAC name of N-(1-ethylcyclohexyl)-2-nitroaniline (CID 171544439) is N-(1-ethylcyclohexyl)-2-nitroaniline.
What is the SMILES notation for N-(1-ethylcyclohexyl)-2-nitroaniline?
The canonical SMILES for N-(1-ethylcyclohexyl)-2-nitroaniline is CCC1(Nc2ccccc2[N+](=O)[O-])CCCCC1.
What is the InChIKey of N-(1-ethylcyclohexyl)-2-nitroaniline?
The InChIKey is UVWRDQDQZYZBCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O2/c1-2-14(10-6-3-7-11-14)15-12-8-4-5-9-13(12)16(17)18/h4-5,8-9,15H,2-3,6-7,10-11H2,1H3.
What are the key properties of N-(1-ethylcyclohexyl)-2-nitroaniline?
N-(1-ethylcyclohexyl)-2-nitroaniline has a molecular weight of 248.33 g/mol, XLogP of 4.12, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-ethylcyclohexyl)-2-nitroaniline is sourced from PubChem (CID 171544439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).