2-bromo-6-fluoro-N-(2-methylcyclopentyl)aniline

C12H15BrFN — CID 107597928

IUPAC2-bromo-6-fluoro-N-(2-methylcyclopentyl)aniline
SMILESCC1CCCC1Nc1c(F)cccc1Br
InChIInChI=1S/C12H15BrFN/c1-8-4-2-7-11(8)15-12-9(13)5-3-6-10(12)14/h3,5-6,8,11,15H,2,4,7H2,1H3
InChIKeyUFQWKAFTIYBMSY-UHFFFAOYSA-N
MW272.16 g/mol
LogP4.19
Rot. Bonds2

About 2-bromo-6-fluoro-N-(2-methylcyclopentyl)aniline

2-bromo-6-fluoro-N-(2-methylcyclopentyl)aniline (PubChem CID 107597928) has the molecular formula C12H15BrFN and a molecular weight of 272.16 g/mol. Its IUPAC name is 2-bromo-6-fluoro-N-(2-methylcyclopentyl)aniline.

Molecular Properties

Compound Name2-bromo-6-fluoro-N-(2-methylcyclopentyl)aniline
PubChem CID107597928
Molecular FormulaC12H15BrFN
Molecular Weight272.16 g/mol
Exact Mass271.04
IUPAC Name2-bromo-6-fluoro-N-(2-methylcyclopentyl)aniline
SMILESCC1CCCC1Nc1c(F)cccc1Br
InChIInChI=1S/C12H15BrFN/c1-8-4-2-7-11(8)15-12-9(13)5-3-6-10(12)14/h3,5-6,8,11,15H,2,4,7H2,1H3
InChIKeyUFQWKAFTIYBMSY-UHFFFAOYSA-N
XLogP4.19
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.16
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2,6-dibromo-N-(2-methylcyclohexyl)aniline
CID 107597104
2-bromo-N-(2-ethylcyclopentyl)-6-fluoroaniline
CID 107597952
2,6-dibromo-N-(2,3-dimethylcyclohexyl)aniline
CID 107596947
2,6-difluoro-3-methyl-N-(2-methylcyclohexyl)aniline
CID 82815625
N-(2-bromo-6-fluorophenyl)-1,2,3,5,6,7,8,8a-octahydroindolizin-1-amine
CID 107598260
2-bromo-5-fluoro-N-(2-methylcyclopentyl)aniline
CID 107632740
2-bromo-4-fluoro-N-(2-methylcyclopentyl)aniline
CID 65046775
[2-bromo-6-[(2-methylcyclopentyl)amino]phenyl]methanol
CID 115885001
1-N-(2,6-difluorophenyl)cyclopentane-1,2-diamine
CID 102571496
2-bromo-N-(3,3-dimethylcyclohexyl)-6-fluoroaniline
CID 107598041
3-methyl-2-N-(2-methylcyclopentyl)benzene-1,2-diamine
CID 115550519
4-bromo-5-fluoro-1-N-(2-methylcyclopentyl)benzene-1,2-diamine
CID 66109766

Frequently Asked Questions

What is the IUPAC name of 2-bromo-6-fluoro-N-(2-methylcyclopentyl)aniline?
The IUPAC name of 2-bromo-6-fluoro-N-(2-methylcyclopentyl)aniline (CID 107597928) is 2-bromo-6-fluoro-N-(2-methylcyclopentyl)aniline.
What is the SMILES notation for 2-bromo-6-fluoro-N-(2-methylcyclopentyl)aniline?
The canonical SMILES for 2-bromo-6-fluoro-N-(2-methylcyclopentyl)aniline is CC1CCCC1Nc1c(F)cccc1Br.
What is the InChIKey of 2-bromo-6-fluoro-N-(2-methylcyclopentyl)aniline?
The InChIKey is UFQWKAFTIYBMSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15BrFN/c1-8-4-2-7-11(8)15-12-9(13)5-3-6-10(12)14/h3,5-6,8,11,15H,2,4,7H2,1H3.
What are the key properties of 2-bromo-6-fluoro-N-(2-methylcyclopentyl)aniline?
2-bromo-6-fluoro-N-(2-methylcyclopentyl)aniline has a molecular weight of 272.16 g/mol, XLogP of 4.19, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-6-fluoro-N-(2-methylcyclopentyl)aniline is sourced from PubChem (CID 107597928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).