4-fluoro-N-[(1R,2S)-2-methylcyclopentyl]aniline

C12H16FN — CID 96923123

IUPAC4-fluoro-N-[(1R,2S)-2-methylcyclopentyl]aniline
SMILESC[C@H]1CCC[C@H]1Nc1ccc(F)cc1
InChIInChI=1S/C12H16FN/c1-9-3-2-4-12(9)14-11-7-5-10(13)6-8-11/h5-9,12,14H,2-4H2,1H3/t9-,12+/m0/s1
InChIKeyFGFPBBDMZVBGHB-JOYOIKCWSA-N
MW193.27 g/mol
LogP3.43
Rot. Bonds2

About 4-fluoro-N-[(1R,2S)-2-methylcyclopentyl]aniline

4-fluoro-N-[(1R,2S)-2-methylcyclopentyl]aniline (PubChem CID 96923123) has the molecular formula C12H16FN and a molecular weight of 193.27 g/mol. Its IUPAC name is 4-fluoro-N-[(1R,2S)-2-methylcyclopentyl]aniline.

Molecular Properties

Compound Name4-fluoro-N-[(1R,2S)-2-methylcyclopentyl]aniline
PubChem CID96923123
Molecular FormulaC12H16FN
Molecular Weight193.27 g/mol
Exact Mass193.13
IUPAC Name4-fluoro-N-[(1R,2S)-2-methylcyclopentyl]aniline
SMILESC[C@H]1CCC[C@H]1Nc1ccc(F)cc1
InChIInChI=1S/C12H16FN/c1-9-3-2-4-12(9)14-11-7-5-10(13)6-8-11/h5-9,12,14H,2-4H2,1H3/t9-,12+/m0/s1
InChIKeyFGFPBBDMZVBGHB-JOYOIKCWSA-N
XLogP3.43
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.27
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3,5-difluoro-N-[(1R,2S)-2-methylcyclopentyl]aniline
CID 96923141
2,5-difluoro-N-(2-methylcyclopentyl)aniline
CID 65046744
6-fluoro-N-(2-methylcyclohexyl)pyridin-3-amine
CID 104586717
N-(2-methylcyclopentyl)pyridin-4-amine
CID 63281266
2-bromo-5-fluoro-N-(2-methylcyclopentyl)aniline
CID 107632740
N-(2-methylcyclopentyl)-4-(trifluoromethoxy)aniline
CID 65046957
N-(2-methylcyclohexyl)-4-phenylaniline
CID 43716847
5-fluoro-N-(2-methylcyclopentyl)pyridin-2-amine
CID 63281306
4-[(2-methylcyclohexyl)amino]benzonitrile
CID 43178854
2-bromo-4-fluoro-N-(2-methylcyclopentyl)aniline
CID 65046775
2-chloro-5-fluoro-N-(2-methylcyclohexyl)aniline
CID 107527174
2-fluoro-5-[(2-methylcyclopentyl)amino]benzoic acid
CID 65044578

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-[(1R,2S)-2-methylcyclopentyl]aniline?
The IUPAC name of 4-fluoro-N-[(1R,2S)-2-methylcyclopentyl]aniline (CID 96923123) is 4-fluoro-N-[(1R,2S)-2-methylcyclopentyl]aniline.
What is the SMILES notation for 4-fluoro-N-[(1R,2S)-2-methylcyclopentyl]aniline?
The canonical SMILES for 4-fluoro-N-[(1R,2S)-2-methylcyclopentyl]aniline is C[C@H]1CCC[C@H]1Nc1ccc(F)cc1.
What is the InChIKey of 4-fluoro-N-[(1R,2S)-2-methylcyclopentyl]aniline?
The InChIKey is FGFPBBDMZVBGHB-JOYOIKCWSA-N. The full InChI is InChI=1S/C12H16FN/c1-9-3-2-4-12(9)14-11-7-5-10(13)6-8-11/h5-9,12,14H,2-4H2,1H3/t9-,12+/m0/s1.
What are the key properties of 4-fluoro-N-[(1R,2S)-2-methylcyclopentyl]aniline?
4-fluoro-N-[(1R,2S)-2-methylcyclopentyl]aniline has a molecular weight of 193.27 g/mol, XLogP of 3.43, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-[(1R,2S)-2-methylcyclopentyl]aniline is sourced from PubChem (CID 96923123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).