N-(3,3-dimethylcyclopentyl)-2,6-difluoroaniline

C13H17F2N — CID 80692653

IUPACN-(3,3-dimethylcyclopentyl)-2,6-difluoroaniline
SMILESCC1(C)CCC(Nc2c(F)cccc2F)C1
InChIInChI=1S/C13H17F2N/c1-13(2)7-6-9(8-13)16-12-10(14)4-3-5-11(12)15/h3-5,9,16H,6-8H2,1-2H3
InChIKeyUCLVOKPHUHAXEA-UHFFFAOYSA-N
MW225.28 g/mol
LogP3.96
Rot. Bonds2

About N-(3,3-dimethylcyclopentyl)-2,6-difluoroaniline

N-(3,3-dimethylcyclopentyl)-2,6-difluoroaniline (PubChem CID 80692653) has the molecular formula C13H17F2N and a molecular weight of 225.28 g/mol. Its IUPAC name is N-(3,3-dimethylcyclopentyl)-2,6-difluoroaniline.

Molecular Properties

Compound NameN-(3,3-dimethylcyclopentyl)-2,6-difluoroaniline
PubChem CID80692653
Molecular FormulaC13H17F2N
Molecular Weight225.28 g/mol
Exact Mass225.13
IUPAC NameN-(3,3-dimethylcyclopentyl)-2,6-difluoroaniline
SMILESCC1(C)CCC(Nc2c(F)cccc2F)C1
InChIInChI=1S/C13H17F2N/c1-13(2)7-6-9(8-13)16-12-10(14)4-3-5-11(12)15/h3-5,9,16H,6-8H2,1-2H3
InChIKeyUCLVOKPHUHAXEA-UHFFFAOYSA-N
XLogP3.96
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.28
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-bromo-N-(3,3-dimethylcyclopentyl)-6-fluoroaniline
CID 107597939
N-(3,3-dimethylcyclopentyl)-3-fluoro-2-methylaniline
CID 80704928
2-bromo-N-(3,3-dimethylcyclohexyl)-6-fluoroaniline
CID 107598041
2,6-difluoro-N-(3,3,5-trimethylcyclohexyl)aniline
CID 43123923
2-[(3,3-dimethylcyclopentyl)amino]-6-fluorobenzonitrile
CID 80693483
N-(2,6-difluorophenyl)-2-[(3,3-dimethylcyclopentyl)amino]acetamide
CID 114546012
N-(3,3-dimethylcyclopentyl)-4-fluoro-3-methylaniline
CID 80705669
N-(3,3-dimethylcyclopentyl)-3,5-difluoroaniline
CID 80693379
1-(2,6-difluorophenyl)-2-[(3,3-dimethylcyclopentyl)amino]ethanol
CID 104531363
N-(2,6-difluorophenyl)cycloheptanamine
CID 28974538
N-(3,3-dimethylcyclopentyl)-2,3,5-trifluoroaniline
CID 80705583
2-bromo-6-fluoro-N-(3,3,5-trimethylcyclohexyl)aniline
CID 107598169

Frequently Asked Questions

What is the IUPAC name of N-(3,3-dimethylcyclopentyl)-2,6-difluoroaniline?
The IUPAC name of N-(3,3-dimethylcyclopentyl)-2,6-difluoroaniline (CID 80692653) is N-(3,3-dimethylcyclopentyl)-2,6-difluoroaniline.
What is the SMILES notation for N-(3,3-dimethylcyclopentyl)-2,6-difluoroaniline?
The canonical SMILES for N-(3,3-dimethylcyclopentyl)-2,6-difluoroaniline is CC1(C)CCC(Nc2c(F)cccc2F)C1.
What is the InChIKey of N-(3,3-dimethylcyclopentyl)-2,6-difluoroaniline?
The InChIKey is UCLVOKPHUHAXEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17F2N/c1-13(2)7-6-9(8-13)16-12-10(14)4-3-5-11(12)15/h3-5,9,16H,6-8H2,1-2H3.
What are the key properties of N-(3,3-dimethylcyclopentyl)-2,6-difluoroaniline?
N-(3,3-dimethylcyclopentyl)-2,6-difluoroaniline has a molecular weight of 225.28 g/mol, XLogP of 3.96, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,3-dimethylcyclopentyl)-2,6-difluoroaniline is sourced from PubChem (CID 80692653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).