N-(2,5-dimethylcyclohexyl)-2-fluoro-4-nitroaniline

C14H19FN2O2 — CID 64762309

IUPACN-(2,5-dimethylcyclohexyl)-2-fluoro-4-nitroaniline
SMILESCC1CCC(C)C(Nc2ccc([N+](=O)[O-])cc2F)C1
InChIInChI=1S/C14H19FN2O2/c1-9-3-4-10(2)14(7-9)16-13-6-5-11(17(18)19)8-12(13)15/h5-6,8-10,14,16H,3-4,7H2,1-2H3
InChIKeyJPXXZQLUKOAESO-UHFFFAOYSA-N
MW266.32 g/mol
LogP3.97
Rot. Bonds3

About N-(2,5-dimethylcyclohexyl)-2-fluoro-4-nitroaniline

N-(2,5-dimethylcyclohexyl)-2-fluoro-4-nitroaniline (PubChem CID 64762309) has the molecular formula C14H19FN2O2 and a molecular weight of 266.32 g/mol. Its IUPAC name is N-(2,5-dimethylcyclohexyl)-2-fluoro-4-nitroaniline.

Molecular Properties

Compound NameN-(2,5-dimethylcyclohexyl)-2-fluoro-4-nitroaniline
PubChem CID64762309
Molecular FormulaC14H19FN2O2
Molecular Weight266.32 g/mol
Exact Mass266.14
IUPAC NameN-(2,5-dimethylcyclohexyl)-2-fluoro-4-nitroaniline
SMILESCC1CCC(C)C(Nc2ccc([N+](=O)[O-])cc2F)C1
InChIInChI=1S/C14H19FN2O2/c1-9-3-4-10(2)14(7-9)16-13-6-5-11(17(18)19)8-12(13)15/h5-6,8-10,14,16H,3-4,7H2,1-2H3
InChIKeyJPXXZQLUKOAESO-UHFFFAOYSA-N
XLogP3.97
TPSA55.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.32
LogP ≤ 53.97
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-(2,5-dimethylcyclohexyl)-2-methyl-5-nitroaniline
CID 64762432
2-fluoro-N-(5-methyl-2-propan-2-ylcyclohexyl)-5-nitroaniline
CID 43719065
2-fluoro-N-(3-methylcyclopentyl)-5-nitroaniline
CID 64501710
3-N-(2-fluoro-4-nitrophenyl)cyclopentane-1,3-diamine
CID 79461374
2-fluoro-N-(3-methoxycyclopentyl)-4-nitroaniline
CID 103082166
N-(2,5-dimethylcyclohexyl)-4-fluoro-2-iodoaniline
CID 79769375
5-[(2,5-dimethylcyclohexyl)amino]-2,4-difluorobenzamide
CID 64761998
N-(2-methylcyclopentyl)-4-nitro-2-(trifluoromethyl)aniline
CID 63540588
2-fluoro-N-(3-methoxy-2,2-dimethylcyclobutyl)-4-nitroaniline
CID 103742787
N-(2-fluoro-4-nitrophenyl)-2,3,3a,4,5,6,7,7a-octahydro-1-benzofuran-4-amine
CID 133364676
4-ethyl-N-(2-fluoro-4-nitrophenyl)cycloheptan-1-amine
CID 65083703
[1-(2-fluoro-4-nitroanilino)-4-methylcyclohexyl]methanol
CID 62526018

Frequently Asked Questions

What is the IUPAC name of N-(2,5-dimethylcyclohexyl)-2-fluoro-4-nitroaniline?
The IUPAC name of N-(2,5-dimethylcyclohexyl)-2-fluoro-4-nitroaniline (CID 64762309) is N-(2,5-dimethylcyclohexyl)-2-fluoro-4-nitroaniline.
What is the SMILES notation for N-(2,5-dimethylcyclohexyl)-2-fluoro-4-nitroaniline?
The canonical SMILES for N-(2,5-dimethylcyclohexyl)-2-fluoro-4-nitroaniline is CC1CCC(C)C(Nc2ccc([N+](=O)[O-])cc2F)C1.
What is the InChIKey of N-(2,5-dimethylcyclohexyl)-2-fluoro-4-nitroaniline?
The InChIKey is JPXXZQLUKOAESO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19FN2O2/c1-9-3-4-10(2)14(7-9)16-13-6-5-11(17(18)19)8-12(13)15/h5-6,8-10,14,16H,3-4,7H2,1-2H3.
What are the key properties of N-(2,5-dimethylcyclohexyl)-2-fluoro-4-nitroaniline?
N-(2,5-dimethylcyclohexyl)-2-fluoro-4-nitroaniline has a molecular weight of 266.32 g/mol, XLogP of 3.97, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-dimethylcyclohexyl)-2-fluoro-4-nitroaniline is sourced from PubChem (CID 64762309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).