2-fluoro-5-nitro-N-(4-propylcyclohexyl)aniline

C15H21FN2O2 — CID 43719007

IUPAC2-fluoro-5-nitro-N-(4-propylcyclohexyl)aniline
SMILESCCCC1CCC(Nc2cc([N+](=O)[O-])ccc2F)CC1
InChIInChI=1S/C15H21FN2O2/c1-2-3-11-4-6-12(7-5-11)17-15-10-13(18(19)20)8-9-14(15)16/h8-12,17H,2-7H2,1H3
InChIKeyPEZTXRARFXPOFX-UHFFFAOYSA-N
MW280.34 g/mol
LogP4.50
Rot. Bonds5

About 2-fluoro-5-nitro-N-(4-propylcyclohexyl)aniline

2-fluoro-5-nitro-N-(4-propylcyclohexyl)aniline (PubChem CID 43719007) has the molecular formula C15H21FN2O2 and a molecular weight of 280.34 g/mol. Its IUPAC name is 2-fluoro-5-nitro-N-(4-propylcyclohexyl)aniline.

Molecular Properties

Compound Name2-fluoro-5-nitro-N-(4-propylcyclohexyl)aniline
PubChem CID43719007
Molecular FormulaC15H21FN2O2
Molecular Weight280.34 g/mol
Exact Mass280.16
IUPAC Name2-fluoro-5-nitro-N-(4-propylcyclohexyl)aniline
SMILESCCCC1CCC(Nc2cc([N+](=O)[O-])ccc2F)CC1
InChIInChI=1S/C15H21FN2O2/c1-2-3-11-4-6-12(7-5-11)17-15-10-13(18(19)20)8-9-14(15)16/h8-12,17H,2-7H2,1H3
InChIKeyPEZTXRARFXPOFX-UHFFFAOYSA-N
XLogP4.50
TPSA55.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.34
LogP ≤ 54.50
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-(4-tert-butylcyclohexyl)-2-fluoro-5-nitroaniline
CID 43719057
N-(2-methyl-4-nitrophenyl)-4-propylcycloheptan-1-amine
CID 65086964
2-fluoro-N-(3-methylcyclopentyl)-5-nitroaniline
CID 64501710
4-ethyl-N-(2-fluoro-4-nitrophenyl)cycloheptan-1-amine
CID 65083703
2-fluoro-5-methyl-N-(4-propylcyclohexyl)aniline
CID 28968119
N-(4-ethylcyclohexyl)-2-methyl-4-nitroaniline
CID 43719897
4-bromo-2-nitro-N-(4-propylcyclohexyl)aniline
CID 43746554
N-(4-fluoro-3-nitrophenyl)-4-propylcycloheptan-1-amine
CID 65086819
2,5-dimethyl-4-nitro-N-(4-propylcyclohexyl)aniline
CID 103145164
4-(cyclopropylamino)-N-(2-fluoro-5-nitrophenyl)-3-nitrobenzamide
CID 55348491
3-N-(2-fluoro-4-nitrophenyl)cyclopentane-1,3-diamine
CID 79461374
2-fluoro-N-(3-methoxycyclopentyl)-4-nitroaniline
CID 103082166

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-5-nitro-N-(4-propylcyclohexyl)aniline?
The IUPAC name of 2-fluoro-5-nitro-N-(4-propylcyclohexyl)aniline (CID 43719007) is 2-fluoro-5-nitro-N-(4-propylcyclohexyl)aniline.
What is the SMILES notation for 2-fluoro-5-nitro-N-(4-propylcyclohexyl)aniline?
The canonical SMILES for 2-fluoro-5-nitro-N-(4-propylcyclohexyl)aniline is CCCC1CCC(Nc2cc([N+](=O)[O-])ccc2F)CC1.
What is the InChIKey of 2-fluoro-5-nitro-N-(4-propylcyclohexyl)aniline?
The InChIKey is PEZTXRARFXPOFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21FN2O2/c1-2-3-11-4-6-12(7-5-11)17-15-10-13(18(19)20)8-9-14(15)16/h8-12,17H,2-7H2,1H3.
What are the key properties of 2-fluoro-5-nitro-N-(4-propylcyclohexyl)aniline?
2-fluoro-5-nitro-N-(4-propylcyclohexyl)aniline has a molecular weight of 280.34 g/mol, XLogP of 4.50, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-5-nitro-N-(4-propylcyclohexyl)aniline is sourced from PubChem (CID 43719007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).