1-N-(2,3-dimethylcyclohexyl)-2,6-difluorobenzene-1,4-diamine

C14H20F2N2 — CID 54902981

IUPAC1-N-(2,3-dimethylcyclohexyl)-2,6-difluorobenzene-1,4-diamine
SMILESCC1CCCC(Nc2c(F)cc(N)cc2F)C1C
InChIInChI=1S/C14H20F2N2/c1-8-4-3-5-13(9(8)2)18-14-11(15)6-10(17)7-12(14)16/h6-9,13,18H,3-5,17H2,1-2H3
InChIKeyFREIXUCXDDBEFE-UHFFFAOYSA-N
MW254.32 g/mol
LogP3.78
Rot. Bonds2

About 1-N-(2,3-dimethylcyclohexyl)-2,6-difluorobenzene-1,4-diamine

1-N-(2,3-dimethylcyclohexyl)-2,6-difluorobenzene-1,4-diamine (PubChem CID 54902981) has the molecular formula C14H20F2N2 and a molecular weight of 254.32 g/mol. Its IUPAC name is 1-N-(2,3-dimethylcyclohexyl)-2,6-difluorobenzene-1,4-diamine.

Molecular Properties

Compound Name1-N-(2,3-dimethylcyclohexyl)-2,6-difluorobenzene-1,4-diamine
PubChem CID54902981
Molecular FormulaC14H20F2N2
Molecular Weight254.32 g/mol
Exact Mass254.16
IUPAC Name1-N-(2,3-dimethylcyclohexyl)-2,6-difluorobenzene-1,4-diamine
SMILESCC1CCCC(Nc2c(F)cc(N)cc2F)C1C
InChIInChI=1S/C14H20F2N2/c1-8-4-3-5-13(9(8)2)18-14-11(15)6-10(17)7-12(14)16/h6-9,13,18H,3-5,17H2,1-2H3
InChIKeyFREIXUCXDDBEFE-UHFFFAOYSA-N
XLogP3.78
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.32
LogP ≤ 53.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze 1-N-(2,3-dimethylcyclohexyl)-2,6-difluorobenzene-1,4-diamine 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-(2,3-dimethylcyclohexyl)-2,4,5-trifluoroaniline
CID 64760115
N-(2,3-dimethylcyclohexyl)-3,4-difluoroaniline
CID 64776370
1-N-(2,3-dimethylcyclohexyl)-4-fluorobenzene-1,2-diamine
CID 43115458
2,6-dibromo-N-(2,3-dimethylcyclohexyl)aniline
CID 107596947
2-chloro-1-N-(2,3-dimethylcyclohexyl)benzene-1,4-diamine
CID 43115465
3-N-(2,3-dimethylcyclohexyl)-5-nitrobenzene-1,3-diamine
CID 80777740
5-[(2,3-dimethylcyclohexyl)amino]-2,4-difluorobenzamide
CID 64761802
1-N-(2,6-dimethylpiperidin-1-yl)-2,6-difluorobenzene-1,4-diamine
CID 83003142
2-amino-5-bromo-N-(2,3-dimethylcyclohexyl)-4-fluorobenzenesulfonamide
CID 106491289
2-amino-6-[(2,3-dimethylcyclohexyl)amino]-3-fluorobenzoic acid
CID 83215255
5-amino-2-[(2,3-dimethylcyclohexyl)amino]benzonitrile
CID 61295781
4-N-(2,3-dimethylcyclohexyl)-6-hydrazinylpyrimidine-2,4-diamine
CID 80944187

Frequently Asked Questions

What is the IUPAC name of 1-N-(2,3-dimethylcyclohexyl)-2,6-difluorobenzene-1,4-diamine?
The IUPAC name of 1-N-(2,3-dimethylcyclohexyl)-2,6-difluorobenzene-1,4-diamine (CID 54902981) is 1-N-(2,3-dimethylcyclohexyl)-2,6-difluorobenzene-1,4-diamine.
What is the SMILES notation for 1-N-(2,3-dimethylcyclohexyl)-2,6-difluorobenzene-1,4-diamine?
The canonical SMILES for 1-N-(2,3-dimethylcyclohexyl)-2,6-difluorobenzene-1,4-diamine is CC1CCCC(Nc2c(F)cc(N)cc2F)C1C.
What is the InChIKey of 1-N-(2,3-dimethylcyclohexyl)-2,6-difluorobenzene-1,4-diamine?
The InChIKey is FREIXUCXDDBEFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20F2N2/c1-8-4-3-5-13(9(8)2)18-14-11(15)6-10(17)7-12(14)16/h6-9,13,18H,3-5,17H2,1-2H3.
What are the key properties of 1-N-(2,3-dimethylcyclohexyl)-2,6-difluorobenzene-1,4-diamine?
1-N-(2,3-dimethylcyclohexyl)-2,6-difluorobenzene-1,4-diamine has a molecular weight of 254.32 g/mol, XLogP of 3.78, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-(2,3-dimethylcyclohexyl)-2,6-difluorobenzene-1,4-diamine is sourced from PubChem (CID 54902981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).