trans-(1S,2S)-2-(2-fluoro-5-methylanilino)cyclopentan-1-ol

C12H16FNO — CID 93345925

IUPACtrans-(1S,2S)-2-(2-fluoro-5-methylanilino)cyclopentan-1-ol
SMILESCc1ccc(F)c(N[C@H]2CCC[C@@H]2O)c1
InChIInChI=1S/C12H16FNO/c1-8-5-6-9(13)11(7-8)14-10-3-2-4-12(10)15/h5-7,10,12,14-15H,2-4H2,1H3/t10-,12-/m0/s1
InChIKeyPOWZRTANGZYXAO-JQWIXIFHSA-N
MW209.26 g/mol
LogP2.46
Rot. Bonds2

About trans-(1S,2S)-2-(2-fluoro-5-methylanilino)cyclopentan-1-ol

trans-(1S,2S)-2-(2-fluoro-5-methylanilino)cyclopentan-1-ol (PubChem CID 93345925) has the molecular formula C12H16FNO and a molecular weight of 209.26 g/mol. Its IUPAC name is trans-(1S,2S)-2-(2-fluoro-5-methylanilino)cyclopentan-1-ol.

Molecular Properties

Compound Nametrans-(1S,2S)-2-(2-fluoro-5-methylanilino)cyclopentan-1-ol
PubChem CID93345925
Molecular FormulaC12H16FNO
Molecular Weight209.26 g/mol
Exact Mass209.12
IUPAC Nametrans-(1S,2S)-2-(2-fluoro-5-methylanilino)cyclopentan-1-ol
SMILESCc1ccc(F)c(N[C@H]2CCC[C@@H]2O)c1
InChIInChI=1S/C12H16FNO/c1-8-5-6-9(13)11(7-8)14-10-3-2-4-12(10)15/h5-7,10,12,14-15H,2-4H2,1H3/t10-,12-/m0/s1
InChIKeyPOWZRTANGZYXAO-JQWIXIFHSA-N
XLogP2.46
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.26
LogP ≤ 52.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

trans-(1R,2R)-2-(2,5-dimethylanilino)cyclohexan-1-ol
CID 15550734
N-(2-tert-butylcyclohexyl)-2-fluoro-5-methylaniline
CID 43122819
trans-(1R,2R)-2-[2-fluoro-5-(trifluoromethyl)anilino]cyclopentan-1-ol
CID 102733436
trans-(1S,2S)-2-(2-fluoroanilino)cyclopentan-1-ol
CID 93345872
2-fluoro-5-methyl-N-(2-methylcyclobutyl)aniline
CID 126973408
2-(4-chloro-2-methylanilino)cyclopentan-1-ol
CID 25130591
N-(2-fluoro-5-methylphenyl)-2-hydroxycyclopentane-1-carboxamide
CID 110013794
trans-(1S,2S)-2-(4-chloro-2-fluoroanilino)cyclohexan-1-ol
CID 102731106
trans-(1R,2R)-2-(2,4,5-trifluoroanilino)cyclohexan-1-ol
CID 102731209
trans-(1S,2S)-2-(4-methylanilino)cyclopentan-1-ol
CID 93345908
N-(2-fluoro-5-methylphenyl)-2-methyloxolan-3-amine
CID 75525387
trans-(1R,2R)-2-(5-fluoro-2-methylanilino)cyclohexan-1-ol
CID 102730941

Frequently Asked Questions

What is the IUPAC name of trans-(1S,2S)-2-(2-fluoro-5-methylanilino)cyclopentan-1-ol?
The IUPAC name of trans-(1S,2S)-2-(2-fluoro-5-methylanilino)cyclopentan-1-ol (CID 93345925) is trans-(1S,2S)-2-(2-fluoro-5-methylanilino)cyclopentan-1-ol.
What is the SMILES notation for trans-(1S,2S)-2-(2-fluoro-5-methylanilino)cyclopentan-1-ol?
The canonical SMILES for trans-(1S,2S)-2-(2-fluoro-5-methylanilino)cyclopentan-1-ol is Cc1ccc(F)c(N[C@H]2CCC[C@@H]2O)c1.
What is the InChIKey of trans-(1S,2S)-2-(2-fluoro-5-methylanilino)cyclopentan-1-ol?
The InChIKey is POWZRTANGZYXAO-JQWIXIFHSA-N. The full InChI is InChI=1S/C12H16FNO/c1-8-5-6-9(13)11(7-8)14-10-3-2-4-12(10)15/h5-7,10,12,14-15H,2-4H2,1H3/t10-,12-/m0/s1.
What are the key properties of trans-(1S,2S)-2-(2-fluoro-5-methylanilino)cyclopentan-1-ol?
trans-(1S,2S)-2-(2-fluoro-5-methylanilino)cyclopentan-1-ol has a molecular weight of 209.26 g/mol, XLogP of 2.46, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1S,2S)-2-(2-fluoro-5-methylanilino)cyclopentan-1-ol is sourced from PubChem (CID 93345925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).