2-bromo-N-(3,3-dimethylcyclopentyl)-6-fluoroaniline

C13H17BrFN — CID 107597939

IUPAC2-bromo-N-(3,3-dimethylcyclopentyl)-6-fluoroaniline
SMILESCC1(C)CCC(Nc2c(F)cccc2Br)C1
InChIInChI=1S/C13H17BrFN/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
InChIKeyJRHHXNLWRBGEED-UHFFFAOYSA-N
MW286.19 g/mol
LogP4.58
Rot. Bonds2

About 2-bromo-N-(3,3-dimethylcyclopentyl)-6-fluoroaniline

2-bromo-N-(3,3-dimethylcyclopentyl)-6-fluoroaniline (PubChem CID 107597939) has the molecular formula C13H17BrFN and a molecular weight of 286.19 g/mol. Its IUPAC name is 2-bromo-N-(3,3-dimethylcyclopentyl)-6-fluoroaniline.

Molecular Properties

Compound Name2-bromo-N-(3,3-dimethylcyclopentyl)-6-fluoroaniline
PubChem CID107597939
Molecular FormulaC13H17BrFN
Molecular Weight286.19 g/mol
Exact Mass285.05
IUPAC Name2-bromo-N-(3,3-dimethylcyclopentyl)-6-fluoroaniline
SMILESCC1(C)CCC(Nc2c(F)cccc2Br)C1
InChIInChI=1S/C13H17BrFN/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
InChIKeyJRHHXNLWRBGEED-UHFFFAOYSA-N
XLogP4.58
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
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

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Related Compounds

2-bromo-N-(3,3-dimethylcyclohexyl)-6-fluoroaniline
CID 107598041
N-(3,3-dimethylcyclopentyl)-2,6-difluoroaniline
CID 80692653
2-bromo-6-fluoro-N-(3,3,5-trimethylcyclohexyl)aniline
CID 107598169
N-(2-bromo-6-fluorophenyl)-2,2-dimethyloxan-4-amine
CID 107598228
2-bromo-N-(3,3-dimethylcyclopentyl)aniline
CID 80692148
N-(3,3-dimethylcyclopentyl)-3-fluoro-2-methylaniline
CID 80704928
2-[(3,3-dimethylcyclopentyl)amino]-6-fluorobenzonitrile
CID 80693483
N-(2-bromo-6-fluorophenyl)-6-oxa-2-thiaspiro[4.5]decan-9-amine
CID 107599402
4-bromo-2,6-dichloro-N-(3,3-dimethylcyclopentyl)aniline
CID 80692270
N-(2,6-difluorophenyl)-2-[(3,3-dimethylcyclopentyl)amino]acetamide
CID 114546012
N-(2-bromo-6-fluorophenyl)-1-propylpiperidin-4-amine
CID 107598285
N-(2-bromo-6-fluorophenyl)-1-methylazepan-4-amine
CID 107598238

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-(3,3-dimethylcyclopentyl)-6-fluoroaniline?
The IUPAC name of 2-bromo-N-(3,3-dimethylcyclopentyl)-6-fluoroaniline (CID 107597939) is 2-bromo-N-(3,3-dimethylcyclopentyl)-6-fluoroaniline.
What is the SMILES notation for 2-bromo-N-(3,3-dimethylcyclopentyl)-6-fluoroaniline?
The canonical SMILES for 2-bromo-N-(3,3-dimethylcyclopentyl)-6-fluoroaniline is CC1(C)CCC(Nc2c(F)cccc2Br)C1.
What is the InChIKey of 2-bromo-N-(3,3-dimethylcyclopentyl)-6-fluoroaniline?
The InChIKey is JRHHXNLWRBGEED-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17BrFN/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 2-bromo-N-(3,3-dimethylcyclopentyl)-6-fluoroaniline?
2-bromo-N-(3,3-dimethylcyclopentyl)-6-fluoroaniline has a molecular weight of 286.19 g/mol, XLogP of 4.58, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-(3,3-dimethylcyclopentyl)-6-fluoroaniline is sourced from PubChem (CID 107597939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).