2,6-difluoro-4-[4-(4-propylcyclohexyl)cyclohexyl]aniline

C21H31F2N — CID 22731669

IUPAC2,6-difluoro-4-[4-(4-propylcyclohexyl)cyclohexyl]aniline
SMILESCCCC1CCC(C2CCC(c3cc(F)c(N)c(F)c3)CC2)CC1
InChIInChI=1S/C21H31F2N/c1-2-3-14-4-6-15(7-5-14)16-8-10-17(11-9-16)18-12-19(22)21(24)20(23)13-18/h12-17H,2-11,24H2,1H3
InChIKeyAJZZFVIAPIWJTD-UHFFFAOYSA-N
MW335.48 g/mol
LogP6.43
Rot. Bonds4

About 2,6-difluoro-4-[4-(4-propylcyclohexyl)cyclohexyl]aniline

2,6-difluoro-4-[4-(4-propylcyclohexyl)cyclohexyl]aniline (PubChem CID 22731669) has the molecular formula C21H31F2N and a molecular weight of 335.48 g/mol. Its IUPAC name is 2,6-difluoro-4-[4-(4-propylcyclohexyl)cyclohexyl]aniline.

Molecular Properties

Compound Name2,6-difluoro-4-[4-(4-propylcyclohexyl)cyclohexyl]aniline
PubChem CID22731669
Molecular FormulaC21H31F2N
Molecular Weight335.48 g/mol
Exact Mass335.24
IUPAC Name2,6-difluoro-4-[4-(4-propylcyclohexyl)cyclohexyl]aniline
SMILESCCCC1CCC(C2CCC(c3cc(F)c(N)c(F)c3)CC2)CC1
InChIInChI=1S/C21H31F2N/c1-2-3-14-4-6-15(7-5-14)16-8-10-17(11-9-16)18-12-19(22)21(24)20(23)13-18/h12-17H,2-11,24H2,1H3
InChIKeyAJZZFVIAPIWJTD-UHFFFAOYSA-N
XLogP6.43
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500335.48
LogP ≤ 56.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1,3-difluoro-2-(fluoromethyl)-5-[4-[4-[2-(4-propylcyclohexyl)ethyl]cyclohexyl]cyclohexyl]benzene
CID 70821004
1,2-difluoro-3-methyl-5-[4-(4-propylcyclohexyl)cyclohexyl]benzene
CID 71202451
2-(difluoromethyl)-1,3-difluoro-5-[4-(4-propylcyclohexyl)cyclohexyl]benzene
CID 15041745
2-[chloro(difluoro)methyl]-1,3-difluoro-5-[4-[4-(4-propylcyclohexyl)cyclohexyl]cyclohexyl]benzene
CID 20654099
2-butyl-1,3-difluoro-5-[4-(4-propylcyclohexyl)cyclohexyl]benzene
CID 67847934
2-[bromo(difluoro)methyl]-1,3-difluoro-5-[4-[4-[2-(4-propylcyclohexyl)ethyl]cyclohexyl]cyclohexyl]benzene
CID 20654003
2,6-difluoro-4-[4-(4-propylcyclohexyl)cyclohexyl]phenol;octane
CID 145464110
1-ethyl-2-fluoro-4-[4-(4-propylcyclohexyl)cyclohexyl]benzene
CID 14693031
2-fluoro-1,3-dimethoxy-5-[4-(4-propylcyclohexyl)cyclohexyl]benzene
CID 21263652
1,2,3-trimethyl-5-[4-(4-propylcyclohexyl)cyclohexyl]benzene
CID 20683489
2-fluoro-1-[4-(4-methylcyclohexyl)cyclohexyl]-4-(4-propylcyclohexyl)benzene
CID 122642799
2-(3,4-difluorophenyl)-1,3-difluoro-5-[4-(4-propylcyclohexyl)cyclohexyl]benzene;molecular hydrogen
CID 158855287

Frequently Asked Questions

What is the IUPAC name of 2,6-difluoro-4-[4-(4-propylcyclohexyl)cyclohexyl]aniline?
The IUPAC name of 2,6-difluoro-4-[4-(4-propylcyclohexyl)cyclohexyl]aniline (CID 22731669) is 2,6-difluoro-4-[4-(4-propylcyclohexyl)cyclohexyl]aniline.
What is the SMILES notation for 2,6-difluoro-4-[4-(4-propylcyclohexyl)cyclohexyl]aniline?
The canonical SMILES for 2,6-difluoro-4-[4-(4-propylcyclohexyl)cyclohexyl]aniline is CCCC1CCC(C2CCC(c3cc(F)c(N)c(F)c3)CC2)CC1.
What is the InChIKey of 2,6-difluoro-4-[4-(4-propylcyclohexyl)cyclohexyl]aniline?
The InChIKey is AJZZFVIAPIWJTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H31F2N/c1-2-3-14-4-6-15(7-5-14)16-8-10-17(11-9-16)18-12-19(22)21(24)20(23)13-18/h12-17H,2-11,24H2,1H3.
What are the key properties of 2,6-difluoro-4-[4-(4-propylcyclohexyl)cyclohexyl]aniline?
2,6-difluoro-4-[4-(4-propylcyclohexyl)cyclohexyl]aniline has a molecular weight of 335.48 g/mol, XLogP of 6.43, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-difluoro-4-[4-(4-propylcyclohexyl)cyclohexyl]aniline is sourced from PubChem (CID 22731669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).