3-chloro-N-(3,3-dimethylcyclopentyl)-5-fluoroaniline

C13H17ClFN — CID 107363930

IUPAC3-chloro-N-(3,3-dimethylcyclopentyl)-5-fluoroaniline
SMILESCC1(C)CCC(Nc2cc(F)cc(Cl)c2)C1
InChIInChI=1S/C13H17ClFN/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
InChIKeyIFLORACJEYZGEQ-UHFFFAOYSA-N
MW241.74 g/mol
LogP4.47
Rot. Bonds2

About 3-chloro-N-(3,3-dimethylcyclopentyl)-5-fluoroaniline

3-chloro-N-(3,3-dimethylcyclopentyl)-5-fluoroaniline (PubChem CID 107363930) has the molecular formula C13H17ClFN and a molecular weight of 241.74 g/mol. Its IUPAC name is 3-chloro-N-(3,3-dimethylcyclopentyl)-5-fluoroaniline.

Molecular Properties

Compound Name3-chloro-N-(3,3-dimethylcyclopentyl)-5-fluoroaniline
PubChem CID107363930
Molecular FormulaC13H17ClFN
Molecular Weight241.74 g/mol
Exact Mass241.10
IUPAC Name3-chloro-N-(3,3-dimethylcyclopentyl)-5-fluoroaniline
SMILESCC1(C)CCC(Nc2cc(F)cc(Cl)c2)C1
InChIInChI=1S/C13H17ClFN/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
InChIKeyIFLORACJEYZGEQ-UHFFFAOYSA-N
XLogP4.47
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.74
LogP ≤ 54.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-(3,3-dimethylcyclopentyl)-3,5-difluoroaniline
CID 80693379
3-chloro-N-cyclopentyl-5-fluoroaniline
CID 115743691
N-(3-chloro-5-fluorophenyl)-6-oxaspiro[4.5]decan-9-amine
CID 107365132
N-(3,3-dimethylcyclopentyl)-4-fluoro-3-methylaniline
CID 80705669
N-(3,3-dimethylcyclopentyl)-2,3,5-trifluoroaniline
CID 80705583
N-(3-fluoro-5-methylphenyl)-4,4-dimethylcycloheptan-1-amine
CID 79055105
N-(3-chloro-5-fluorophenyl)-1-methylpyrrolidin-3-amine
CID 103818356
3-chloro-N-(3,3-dimethylcyclopentyl)-4-methylaniline
CID 80692538
3-N-(3-chloro-5-fluorophenyl)cyclopentane-1,3-diamine
CID 107364181
3-chloro-5-fluoro-N-[4-(trifluoromethyl)cyclohexyl]aniline
CID 107363988
3-chloro-5-fluoro-N-(4-propylcyclohexyl)aniline
CID 107364276
N-[3-chloro-5-(trifluoromethyl)phenyl]-4,4-dimethylcycloheptan-1-amine
CID 116698868

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-(3,3-dimethylcyclopentyl)-5-fluoroaniline?
The IUPAC name of 3-chloro-N-(3,3-dimethylcyclopentyl)-5-fluoroaniline (CID 107363930) is 3-chloro-N-(3,3-dimethylcyclopentyl)-5-fluoroaniline.
What is the SMILES notation for 3-chloro-N-(3,3-dimethylcyclopentyl)-5-fluoroaniline?
The canonical SMILES for 3-chloro-N-(3,3-dimethylcyclopentyl)-5-fluoroaniline is CC1(C)CCC(Nc2cc(F)cc(Cl)c2)C1.
What is the InChIKey of 3-chloro-N-(3,3-dimethylcyclopentyl)-5-fluoroaniline?
The InChIKey is IFLORACJEYZGEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17ClFN/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 3-chloro-N-(3,3-dimethylcyclopentyl)-5-fluoroaniline?
3-chloro-N-(3,3-dimethylcyclopentyl)-5-fluoroaniline has a molecular weight of 241.74 g/mol, XLogP of 4.47, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-(3,3-dimethylcyclopentyl)-5-fluoroaniline is sourced from PubChem (CID 107363930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).