trans-(1R,2R)-2-(5-fluoro-2-methylanilino)cyclohexan-1-ol

C13H18FNO — CID 102730941

IUPACtrans-(1R,2R)-2-(5-fluoro-2-methylanilino)cyclohexan-1-ol
SMILESCc1ccc(F)cc1N[C@@H]1CCCC[C@H]1O
InChIInChI=1S/C13H18FNO/c1-9-6-7-10(14)8-12(9)15-11-4-2-3-5-13(11)16/h6-8,11,13,15-16H,2-5H2,1H3/t11-,13-/m1/s1
InChIKeyCETAYTRTPOESGS-DGCLKSJQSA-N
MW223.29 g/mol
LogP2.85
Rot. Bonds2

About trans-(1R,2R)-2-(5-fluoro-2-methylanilino)cyclohexan-1-ol

trans-(1R,2R)-2-(5-fluoro-2-methylanilino)cyclohexan-1-ol (PubChem CID 102730941) has the molecular formula C13H18FNO and a molecular weight of 223.29 g/mol. Its IUPAC name is trans-(1R,2R)-2-(5-fluoro-2-methylanilino)cyclohexan-1-ol.

Molecular Properties

Compound Nametrans-(1R,2R)-2-(5-fluoro-2-methylanilino)cyclohexan-1-ol
PubChem CID102730941
Molecular FormulaC13H18FNO
Molecular Weight223.29 g/mol
Exact Mass223.14
IUPAC Nametrans-(1R,2R)-2-(5-fluoro-2-methylanilino)cyclohexan-1-ol
SMILESCc1ccc(F)cc1N[C@@H]1CCCC[C@H]1O
InChIInChI=1S/C13H18FNO/c1-9-6-7-10(14)8-12(9)15-11-4-2-3-5-13(11)16/h6-8,11,13,15-16H,2-5H2,1H3/t11-,13-/m1/s1
InChIKeyCETAYTRTPOESGS-DGCLKSJQSA-N
XLogP2.85
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.29
LogP ≤ 52.85
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
trans-(1S,2S)-2-(2-chloro-5-fluoroanilino)cyclohexan-1-ol
CID 107528235
2-(5-amino-2-methylanilino)cyclohexan-1-ol
CID 62590729
2-(2-bromo-5-fluoroanilino)cyclopentan-1-ol
CID 107635614
trans-(1R,2R)-2-(5-bromo-2-methylanilino)cyclopentan-1-ol
CID 102733136
3-[(2-hydroxycycloheptyl)amino]-4-methylbenzonitrile
CID 62103743
2-(2,3,5-trifluoroanilino)cyclohexan-1-ol
CID 55118688
trans-(1S,2S)-2-(2-fluoro-5-methylanilino)cyclopentan-1-ol
CID 93345925
trans-(1R,2R)-2-(2,4,5-trifluoroanilino)cyclohexan-1-ol
CID 102731209
trans-(1R,2R)-2-(4-fluoro-3-methylanilino)cyclohexan-1-ol
CID 102731211
N-(2,2-dimethylcyclohexyl)-5-fluoro-2-methylaniline
CID 79829574
N-(5-fluoro-2-methylphenyl)-2-hydroxycyclopentane-1-carboxamide
CID 110013638

Frequently Asked Questions

What is the IUPAC name of trans-(1R,2R)-2-(5-fluoro-2-methylanilino)cyclohexan-1-ol?
The IUPAC name of trans-(1R,2R)-2-(5-fluoro-2-methylanilino)cyclohexan-1-ol (CID 102730941) is trans-(1R,2R)-2-(5-fluoro-2-methylanilino)cyclohexan-1-ol.
What is the SMILES notation for trans-(1R,2R)-2-(5-fluoro-2-methylanilino)cyclohexan-1-ol?
The canonical SMILES for trans-(1R,2R)-2-(5-fluoro-2-methylanilino)cyclohexan-1-ol is Cc1ccc(F)cc1N[C@@H]1CCCC[C@H]1O.
What is the InChIKey of trans-(1R,2R)-2-(5-fluoro-2-methylanilino)cyclohexan-1-ol?
The InChIKey is CETAYTRTPOESGS-DGCLKSJQSA-N. The full InChI is InChI=1S/C13H18FNO/c1-9-6-7-10(14)8-12(9)15-11-4-2-3-5-13(11)16/h6-8,11,13,15-16H,2-5H2,1H3/t11-,13-/m1/s1.
What are the key properties of trans-(1R,2R)-2-(5-fluoro-2-methylanilino)cyclohexan-1-ol?
trans-(1R,2R)-2-(5-fluoro-2-methylanilino)cyclohexan-1-ol has a molecular weight of 223.29 g/mol, XLogP of 2.85, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1R,2R)-2-(5-fluoro-2-methylanilino)cyclohexan-1-ol is sourced from PubChem (CID 102730941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).