N-(3,3-dimethylcyclopentyl)-3,5-difluoroaniline

C13H17F2N — CID 80693379

IUPACN-(3,3-dimethylcyclopentyl)-3,5-difluoroaniline
SMILESCC1(C)CCC(Nc2cc(F)cc(F)c2)C1
InChIInChI=1S/C13H17F2N/c1-13(2)4-3-11(8-13)16-12-6-9(14)5-10(15)7-12/h5-7,11,16H,3-4,8H2,1-2H3
InChIKeyCVTSEVFCUMHVQJ-UHFFFAOYSA-N
MW225.28 g/mol
LogP3.96
Rot. Bonds2

About N-(3,3-dimethylcyclopentyl)-3,5-difluoroaniline

N-(3,3-dimethylcyclopentyl)-3,5-difluoroaniline (PubChem CID 80693379) has the molecular formula C13H17F2N and a molecular weight of 225.28 g/mol. Its IUPAC name is N-(3,3-dimethylcyclopentyl)-3,5-difluoroaniline.

Molecular Properties

Compound NameN-(3,3-dimethylcyclopentyl)-3,5-difluoroaniline
PubChem CID80693379
Molecular FormulaC13H17F2N
Molecular Weight225.28 g/mol
Exact Mass225.13
IUPAC NameN-(3,3-dimethylcyclopentyl)-3,5-difluoroaniline
SMILESCC1(C)CCC(Nc2cc(F)cc(F)c2)C1
InChIInChI=1S/C13H17F2N/c1-13(2)4-3-11(8-13)16-12-6-9(14)5-10(15)7-12/h5-7,11,16H,3-4,8H2,1-2H3
InChIKeyCVTSEVFCUMHVQJ-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

3-chloro-N-(3,3-dimethylcyclopentyl)-5-fluoroaniline
CID 107363930
N-(3,3-dimethylcyclopentyl)-2,3,5-trifluoroaniline
CID 80705583
N-(3-fluoro-5-methylphenyl)-4,4-dimethylcycloheptan-1-amine
CID 79055105
N-(3,3-dimethylcyclopentyl)-4-fluoro-3-methylaniline
CID 80705669
3-N-(3,3-dimethylcyclopentyl)-5-methoxybenzene-1,3-diamine
CID 114543322
N-(3,3-dimethylcyclopentyl)-2,2-dimethyl-1,3-benzodioxol-5-amine
CID 80693397
N-(3,3-dimethylcyclopentyl)-2,6-difluoroaniline
CID 80692653
3-chloro-N-(3,3-dimethylcyclopentyl)-4-methylaniline
CID 80692538
3-bromo-N-(3,3-dimethylcyclopentyl)-4-methylaniline
CID 80706050
N-(3-fluoro-5-methylphenyl)-5,5-dimethylthian-3-amine
CID 79958988
3-fluoro-5-[(3,3,5,5-tetramethylcyclohexyl)amino]benzonitrile
CID 102817183
3-N-(3,3-dimethylcyclopentyl)-5-propan-2-yloxybenzene-1,3-diamine
CID 114543343

Frequently Asked Questions

What is the IUPAC name of N-(3,3-dimethylcyclopentyl)-3,5-difluoroaniline?
The IUPAC name of N-(3,3-dimethylcyclopentyl)-3,5-difluoroaniline (CID 80693379) is N-(3,3-dimethylcyclopentyl)-3,5-difluoroaniline.
What is the SMILES notation for N-(3,3-dimethylcyclopentyl)-3,5-difluoroaniline?
The canonical SMILES for N-(3,3-dimethylcyclopentyl)-3,5-difluoroaniline is CC1(C)CCC(Nc2cc(F)cc(F)c2)C1.
What is the InChIKey of N-(3,3-dimethylcyclopentyl)-3,5-difluoroaniline?
The InChIKey is CVTSEVFCUMHVQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17F2N/c1-13(2)4-3-11(8-13)16-12-6-9(14)5-10(15)7-12/h5-7,11,16H,3-4,8H2,1-2H3.
What are the key properties of N-(3,3-dimethylcyclopentyl)-3,5-difluoroaniline?
N-(3,3-dimethylcyclopentyl)-3,5-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)-3,5-difluoroaniline is sourced from PubChem (CID 80693379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).