2,5-difluoro-N-(2-methylcyclopentyl)aniline

C12H15F2N — CID 65046744

IUPAC2,5-difluoro-N-(2-methylcyclopentyl)aniline
SMILESCC1CCCC1Nc1cc(F)ccc1F
InChIInChI=1S/C12H15F2N/c1-8-3-2-4-11(8)15-12-7-9(13)5-6-10(12)14/h5-8,11,15H,2-4H2,1H3
InChIKeyPLPIJNWRIVGHKZ-UHFFFAOYSA-N
MW211.25 g/mol
LogP3.57
Rot. Bonds2

About 2,5-difluoro-N-(2-methylcyclopentyl)aniline

2,5-difluoro-N-(2-methylcyclopentyl)aniline (PubChem CID 65046744) has the molecular formula C12H15F2N and a molecular weight of 211.25 g/mol. Its IUPAC name is 2,5-difluoro-N-(2-methylcyclopentyl)aniline.

Molecular Properties

Compound Name2,5-difluoro-N-(2-methylcyclopentyl)aniline
PubChem CID65046744
Molecular FormulaC12H15F2N
Molecular Weight211.25 g/mol
Exact Mass211.12
IUPAC Name2,5-difluoro-N-(2-methylcyclopentyl)aniline
SMILESCC1CCCC1Nc1cc(F)ccc1F
InChIInChI=1S/C12H15F2N/c1-8-3-2-4-11(8)15-12-7-9(13)5-6-10(12)14/h5-8,11,15H,2-4H2,1H3
InChIKeyPLPIJNWRIVGHKZ-UHFFFAOYSA-N
XLogP3.57
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.25
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-bromo-5-fluoro-N-(2-methylcyclopentyl)aniline
CID 107632740
2-chloro-5-fluoro-N-(2-methylcyclohexyl)aniline
CID 107527174
2-bromo-4-fluoro-N-(2-methylcyclopentyl)aniline
CID 65046775
4-fluoro-N-[(1R,2S)-2-methylcyclopentyl]aniline
CID 96923123
N-(2,4-dimethylcyclohexyl)-2,5-difluoroaniline
CID 64775137
1-(2,5-difluorophenyl)-3-[(1R,2S)-2-methylcyclohexyl]thiourea
CID 8668974
4-fluoro-3-[(2-methylcyclopentyl)amino]benzoic acid
CID 65043893
N-[4-fluoro-3-[(2-methylcyclopentyl)amino]phenyl]acetamide
CID 65044597
2-fluoro-5-methyl-N-(2-methylcyclobutyl)aniline
CID 126973408
1-N-(2,3-dimethylcyclohexyl)-4-fluorobenzene-1,2-diamine
CID 43115458
3,5-difluoro-N-[(1R,2S)-2-methylcyclopentyl]aniline
CID 96923141
4-fluoro-5-methyl-1-N-(2-methylcyclopentyl)benzene-1,2-diamine
CID 103590389

Frequently Asked Questions

What is the IUPAC name of 2,5-difluoro-N-(2-methylcyclopentyl)aniline?
The IUPAC name of 2,5-difluoro-N-(2-methylcyclopentyl)aniline (CID 65046744) is 2,5-difluoro-N-(2-methylcyclopentyl)aniline.
What is the SMILES notation for 2,5-difluoro-N-(2-methylcyclopentyl)aniline?
The canonical SMILES for 2,5-difluoro-N-(2-methylcyclopentyl)aniline is CC1CCCC1Nc1cc(F)ccc1F.
What is the InChIKey of 2,5-difluoro-N-(2-methylcyclopentyl)aniline?
The InChIKey is PLPIJNWRIVGHKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15F2N/c1-8-3-2-4-11(8)15-12-7-9(13)5-6-10(12)14/h5-8,11,15H,2-4H2,1H3.
What are the key properties of 2,5-difluoro-N-(2-methylcyclopentyl)aniline?
2,5-difluoro-N-(2-methylcyclopentyl)aniline has a molecular weight of 211.25 g/mol, XLogP of 3.57, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-difluoro-N-(2-methylcyclopentyl)aniline is sourced from PubChem (CID 65046744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).