2-bromo-N-(2-ethylcyclopentyl)-6-fluoroaniline

C13H17BrFN — CID 107597952

IUPAC2-bromo-N-(2-ethylcyclopentyl)-6-fluoroaniline
SMILESCCC1CCCC1Nc1c(F)cccc1Br
InChIInChI=1S/C13H17BrFN/c1-2-9-5-3-8-12(9)16-13-10(14)6-4-7-11(13)15/h4,6-7,9,12,16H,2-3,5,8H2,1H3
InChIKeyTUAQIAFEESKNAJ-UHFFFAOYSA-N
MW286.19 g/mol
LogP4.58
Rot. Bonds3

About 2-bromo-N-(2-ethylcyclopentyl)-6-fluoroaniline

2-bromo-N-(2-ethylcyclopentyl)-6-fluoroaniline (PubChem CID 107597952) has the molecular formula C13H17BrFN and a molecular weight of 286.19 g/mol. Its IUPAC name is 2-bromo-N-(2-ethylcyclopentyl)-6-fluoroaniline.

Molecular Properties

Compound Name2-bromo-N-(2-ethylcyclopentyl)-6-fluoroaniline
PubChem CID107597952
Molecular FormulaC13H17BrFN
Molecular Weight286.19 g/mol
Exact Mass285.05
IUPAC Name2-bromo-N-(2-ethylcyclopentyl)-6-fluoroaniline
SMILESCCC1CCCC1Nc1c(F)cccc1Br
InChIInChI=1S/C13H17BrFN/c1-2-9-5-3-8-12(9)16-13-10(14)6-4-7-11(13)15/h4,6-7,9,12,16H,2-3,5,8H2,1H3
InChIKeyTUAQIAFEESKNAJ-UHFFFAOYSA-N
XLogP4.58
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.19
LogP ≤ 54.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 2-bromo-N-(2-ethylcyclopentyl)-6-fluoroaniline 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

2-bromo-6-fluoro-N-(2-methylcyclopentyl)aniline
CID 107597928
N-(2-ethylcyclohexyl)-2,3,5,6-tetrafluoroaniline
CID 107643882
2,6-dibromo-4-chloro-N-(2-ethylcyclopentyl)aniline
CID 114208972
N-(2-ethylcyclopentyl)-6-fluoropyridin-2-amine
CID 115692088
1-N-(2,6-difluorophenyl)cyclopentane-1,2-diamine
CID 102571496
N-(2-bromo-6-fluorophenyl)-1,2,3,5,6,7,8,8a-octahydroindolizin-1-amine
CID 107598260
N-(2-bromo-6-fluorophenyl)-1-propylpiperidin-4-amine
CID 107598285
2-N-(2-ethylcyclohexyl)-3-methylbenzene-1,2-diamine
CID 115550239
2,6-dibromo-N-(2,3-dimethylcyclohexyl)aniline
CID 107596947
2,6-dibromo-N-(2-methylcyclohexyl)aniline
CID 107597104
4-[(2-ethylcyclohexyl)amino]-3,5-difluorobenzoic acid
CID 63538499
N-(2-bromo-6-fluorophenyl)-1-methylazepan-4-amine
CID 107598238

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-(2-ethylcyclopentyl)-6-fluoroaniline?
The IUPAC name of 2-bromo-N-(2-ethylcyclopentyl)-6-fluoroaniline (CID 107597952) is 2-bromo-N-(2-ethylcyclopentyl)-6-fluoroaniline.
What is the SMILES notation for 2-bromo-N-(2-ethylcyclopentyl)-6-fluoroaniline?
The canonical SMILES for 2-bromo-N-(2-ethylcyclopentyl)-6-fluoroaniline is CCC1CCCC1Nc1c(F)cccc1Br.
What is the InChIKey of 2-bromo-N-(2-ethylcyclopentyl)-6-fluoroaniline?
The InChIKey is TUAQIAFEESKNAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17BrFN/c1-2-9-5-3-8-12(9)16-13-10(14)6-4-7-11(13)15/h4,6-7,9,12,16H,2-3,5,8H2,1H3.
What are the key properties of 2-bromo-N-(2-ethylcyclopentyl)-6-fluoroaniline?
2-bromo-N-(2-ethylcyclopentyl)-6-fluoroaniline has a molecular weight of 286.19 g/mol, XLogP of 4.58, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-(2-ethylcyclopentyl)-6-fluoroaniline is sourced from PubChem (CID 107597952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).