N-(2,4-dimethylcyclohexyl)-2,4-difluoro-6-nitroaniline

C14H18F2N2O2 — CID 81310957

IUPACN-(2,4-dimethylcyclohexyl)-2,4-difluoro-6-nitroaniline
SMILESCC1CCC(Nc2c(F)cc(F)cc2[N+](=O)[O-])C(C)C1
InChIInChI=1S/C14H18F2N2O2/c1-8-3-4-12(9(2)5-8)17-14-11(16)6-10(15)7-13(14)18(19)20/h6-9,12,17H,3-5H2,1-2H3
InChIKeyHJUUMPDUZCCNAL-UHFFFAOYSA-N
MW284.31 g/mol
LogP4.11
Rot. Bonds3

About N-(2,4-dimethylcyclohexyl)-2,4-difluoro-6-nitroaniline

N-(2,4-dimethylcyclohexyl)-2,4-difluoro-6-nitroaniline (PubChem CID 81310957) has the molecular formula C14H18F2N2O2 and a molecular weight of 284.31 g/mol. Its IUPAC name is N-(2,4-dimethylcyclohexyl)-2,4-difluoro-6-nitroaniline.

Molecular Properties

Compound NameN-(2,4-dimethylcyclohexyl)-2,4-difluoro-6-nitroaniline
PubChem CID81310957
Molecular FormulaC14H18F2N2O2
Molecular Weight284.31 g/mol
Exact Mass284.13
IUPAC NameN-(2,4-dimethylcyclohexyl)-2,4-difluoro-6-nitroaniline
SMILESCC1CCC(Nc2c(F)cc(F)cc2[N+](=O)[O-])C(C)C1
InChIInChI=1S/C14H18F2N2O2/c1-8-3-4-12(9(2)5-8)17-14-11(16)6-10(15)7-13(14)18(19)20/h6-9,12,17H,3-5H2,1-2H3
InChIKeyHJUUMPDUZCCNAL-UHFFFAOYSA-N
XLogP4.11
TPSA55.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.31
LogP ≤ 54.11
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'}

Analyze N-(2,4-dimethylcyclohexyl)-2,4-difluoro-6-nitroaniline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(2,4-difluoro-6-nitrophenyl)bicyclo[3.2.0]hept-3-en-6-amine
CID 81310682
3-bromo-N-(2,4-dimethylcyclohexyl)-5-nitropyridin-4-amine
CID 103519381
N-(2,4-difluoro-6-nitrophenyl)azetidin-3-amine
CID 81309875
N-(2,4-dimethylcyclohexyl)-6-nitro-1,3-benzodioxol-5-amine
CID 64762015
1-[4-(2,4-difluoro-6-nitroanilino)piperidin-1-yl]ethanone
CID 81304503
4-[(2,4-dimethylcyclohexyl)amino]-3-nitrobenzoic acid
CID 63997975
N-(2,4-dimethylcyclohexyl)-2,5-difluoroaniline
CID 64775137
2,4-difluoro-N-[(5-methyloxolan-2-yl)methyl]-6-nitroaniline
CID 82836087
N-(2,4-dimethylcyclohexyl)-6-methoxy-3-nitropyridin-2-amine
CID 115321546
N-(cycloheptylmethyl)-2,4-difluoro-6-nitroaniline
CID 81311125
N-[(3,5-difluorophenyl)methyl]-2,4-difluoro-6-nitroaniline
CID 106528437
N-(2,2-dimethylpropyl)-2,4-difluoro-6-nitroaniline
CID 81310142

Frequently Asked Questions

What is the IUPAC name of N-(2,4-dimethylcyclohexyl)-2,4-difluoro-6-nitroaniline?
The IUPAC name of N-(2,4-dimethylcyclohexyl)-2,4-difluoro-6-nitroaniline (CID 81310957) is N-(2,4-dimethylcyclohexyl)-2,4-difluoro-6-nitroaniline.
What is the SMILES notation for N-(2,4-dimethylcyclohexyl)-2,4-difluoro-6-nitroaniline?
The canonical SMILES for N-(2,4-dimethylcyclohexyl)-2,4-difluoro-6-nitroaniline is CC1CCC(Nc2c(F)cc(F)cc2[N+](=O)[O-])C(C)C1.
What is the InChIKey of N-(2,4-dimethylcyclohexyl)-2,4-difluoro-6-nitroaniline?
The InChIKey is HJUUMPDUZCCNAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18F2N2O2/c1-8-3-4-12(9(2)5-8)17-14-11(16)6-10(15)7-13(14)18(19)20/h6-9,12,17H,3-5H2,1-2H3.
What are the key properties of N-(2,4-dimethylcyclohexyl)-2,4-difluoro-6-nitroaniline?
N-(2,4-dimethylcyclohexyl)-2,4-difluoro-6-nitroaniline has a molecular weight of 284.31 g/mol, XLogP of 4.11, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-dimethylcyclohexyl)-2,4-difluoro-6-nitroaniline is sourced from PubChem (CID 81310957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).