4-N-ethyl-4-N-(2-fluoro-4-nitrophenyl)cyclohexane-1,4-diamine

C14H20FN3O2 — CID 79111478

IUPAC4-N-ethyl-4-N-(2-fluoro-4-nitrophenyl)cyclohexane-1,4-diamine
SMILESCCN(c1ccc([N+](=O)[O-])cc1F)C1CCC(N)CC1
InChIInChI=1S/C14H20FN3O2/c1-2-17(11-5-3-10(16)4-6-11)14-8-7-12(18(19)20)9-13(14)15/h7-11H,2-6,16H2,1H3
InChIKeyUGKPJGJQFBZOAM-UHFFFAOYSA-N
MW281.33 g/mol
LogP2.83
Rot. Bonds4

About 4-N-ethyl-4-N-(2-fluoro-4-nitrophenyl)cyclohexane-1,4-diamine

4-N-ethyl-4-N-(2-fluoro-4-nitrophenyl)cyclohexane-1,4-diamine (PubChem CID 79111478) has the molecular formula C14H20FN3O2 and a molecular weight of 281.33 g/mol. Its IUPAC name is 4-N-ethyl-4-N-(2-fluoro-4-nitrophenyl)cyclohexane-1,4-diamine.

Molecular Properties

Compound Name4-N-ethyl-4-N-(2-fluoro-4-nitrophenyl)cyclohexane-1,4-diamine
PubChem CID79111478
Molecular FormulaC14H20FN3O2
Molecular Weight281.33 g/mol
Exact Mass281.15
IUPAC Name4-N-ethyl-4-N-(2-fluoro-4-nitrophenyl)cyclohexane-1,4-diamine
SMILESCCN(c1ccc([N+](=O)[O-])cc1F)C1CCC(N)CC1
InChIInChI=1S/C14H20FN3O2/c1-2-17(11-5-3-10(16)4-6-11)14-8-7-12(18(19)20)9-13(14)15/h7-11H,2-6,16H2,1H3
InChIKeyUGKPJGJQFBZOAM-UHFFFAOYSA-N
XLogP2.83
TPSA72.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.33
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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,N-diethyl-2-fluoro-4-nitroaniline
CID 67995604
N-cyclohexyl-N-ethyl-2,4-dinitroaniline
CID 9282678
3-(N-cyclobutyl-2-fluoro-4-nitroanilino)propan-1-ol
CID 102846778
4-N-(5-chloro-2-methyl-4-nitrophenyl)-4-N-ethylcyclohexane-1,4-diamine
CID 115556138
1-N-(4-aminocyclohexyl)-1-N-ethyl-4-nitrobenzene-1,3-diamine
CID 106749914
4-N-ethyl-4-N-(3-methyl-4-nitrophenyl)cyclohexane-1,4-diamine
CID 79112418
N-ethyl-2-fluoro-4-nitro-N-(piperidin-3-ylmethyl)aniline
CID 106643566
N-cyclopropyl-N-ethyl-2-fluoro-5-nitrobenzamide
CID 43377587
1-N-cyclohexyl-1-N-ethyl-2-fluorobenzene-1,4-diamine
CID 28972591
2-[cyclopropyl(cyclopropylmethyl)amino]-5-nitrobenzonitrile
CID 78958759
N-ethyl-2-fluoro-4-nitro-N-(3,3,3-trifluoropropyl)aniline
CID 133279235
N-(4-aminocyclohexyl)-N-ethyl-3,4-difluorobenzenesulfonamide
CID 79113666

Frequently Asked Questions

What is the IUPAC name of 4-N-ethyl-4-N-(2-fluoro-4-nitrophenyl)cyclohexane-1,4-diamine?
The IUPAC name of 4-N-ethyl-4-N-(2-fluoro-4-nitrophenyl)cyclohexane-1,4-diamine (CID 79111478) is 4-N-ethyl-4-N-(2-fluoro-4-nitrophenyl)cyclohexane-1,4-diamine.
What is the SMILES notation for 4-N-ethyl-4-N-(2-fluoro-4-nitrophenyl)cyclohexane-1,4-diamine?
The canonical SMILES for 4-N-ethyl-4-N-(2-fluoro-4-nitrophenyl)cyclohexane-1,4-diamine is CCN(c1ccc([N+](=O)[O-])cc1F)C1CCC(N)CC1.
What is the InChIKey of 4-N-ethyl-4-N-(2-fluoro-4-nitrophenyl)cyclohexane-1,4-diamine?
The InChIKey is UGKPJGJQFBZOAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20FN3O2/c1-2-17(11-5-3-10(16)4-6-11)14-8-7-12(18(19)20)9-13(14)15/h7-11H,2-6,16H2,1H3.
What are the key properties of 4-N-ethyl-4-N-(2-fluoro-4-nitrophenyl)cyclohexane-1,4-diamine?
4-N-ethyl-4-N-(2-fluoro-4-nitrophenyl)cyclohexane-1,4-diamine has a molecular weight of 281.33 g/mol, XLogP of 2.83, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-ethyl-4-N-(2-fluoro-4-nitrophenyl)cyclohexane-1,4-diamine is sourced from PubChem (CID 79111478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).