trans-(1R,2R)-2-(4-fluoro-3-methylanilino)cyclohexan-1-ol

C13H18FNO — CID 102731211

IUPACtrans-(1R,2R)-2-(4-fluoro-3-methylanilino)cyclohexan-1-ol
SMILESCc1cc(N[C@@H]2CCCC[C@H]2O)ccc1F
InChIInChI=1S/C13H18FNO/c1-9-8-10(6-7-11(9)14)15-12-4-2-3-5-13(12)16/h6-8,12-13,15-16H,2-5H2,1H3/t12-,13-/m1/s1
InChIKeyWJPYJYHBEURNAK-CHWSQXEVSA-N
MW223.29 g/mol
LogP2.85
Rot. Bonds2

About trans-(1R,2R)-2-(4-fluoro-3-methylanilino)cyclohexan-1-ol

trans-(1R,2R)-2-(4-fluoro-3-methylanilino)cyclohexan-1-ol (PubChem CID 102731211) has the molecular formula C13H18FNO and a molecular weight of 223.29 g/mol. Its IUPAC name is trans-(1R,2R)-2-(4-fluoro-3-methylanilino)cyclohexan-1-ol.

Molecular Properties

Compound Nametrans-(1R,2R)-2-(4-fluoro-3-methylanilino)cyclohexan-1-ol
PubChem CID102731211
Molecular FormulaC13H18FNO
Molecular Weight223.29 g/mol
Exact Mass223.14
IUPAC Nametrans-(1R,2R)-2-(4-fluoro-3-methylanilino)cyclohexan-1-ol
SMILESCc1cc(N[C@@H]2CCCC[C@H]2O)ccc1F
InChIInChI=1S/C13H18FNO/c1-9-8-10(6-7-11(9)14)15-12-4-2-3-5-13(12)16/h6-8,12-13,15-16H,2-5H2,1H3/t12-,13-/m1/s1
InChIKeyWJPYJYHBEURNAK-CHWSQXEVSA-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-(1S,2S)-2-(3,4-difluoroanilino)cyclohexan-1-ol
CID 102730932
2-(3,4-dimethylanilino)cycloheptan-1-ol
CID 60896994
trans-(1R,2R)-2-(3,4-dimethylanilino)cyclopentan-1-ol
CID 102732999
(1R)-2-(4-methylanilino)cyclohexan-1-ol
CID 134547011
N-cyclopropyl-4-fluoro-3-methylaniline
CID 83694970
trans-(1S,2S)-2-[3-(dimethylamino)-4-methylanilino]cyclohexan-1-ol
CID 102731527
N-(4-fluoro-3-methylphenyl)bicyclo[2.2.1]heptan-2-amine
CID 62810365
trans-(1S,2S)-2-(2-fluoro-5-methylanilino)cyclopentan-1-ol
CID 93345925
trans-(1S,2S)-2-(4-methylanilino)cyclopentan-1-ol
CID 93345908
trans-(1S,2S)-2-(4-chloroanilino)cyclopentan-1-ol
CID 93345854
trans-(1S,2S)-2-(3,5-difluoroanilino)cyclohexan-1-ol
CID 102730953
trans-(1R,2R)-2-(5-fluoro-2-methylanilino)cyclohexan-1-ol
CID 102730941

Frequently Asked Questions

What is the IUPAC name of trans-(1R,2R)-2-(4-fluoro-3-methylanilino)cyclohexan-1-ol?
The IUPAC name of trans-(1R,2R)-2-(4-fluoro-3-methylanilino)cyclohexan-1-ol (CID 102731211) is trans-(1R,2R)-2-(4-fluoro-3-methylanilino)cyclohexan-1-ol.
What is the SMILES notation for trans-(1R,2R)-2-(4-fluoro-3-methylanilino)cyclohexan-1-ol?
The canonical SMILES for trans-(1R,2R)-2-(4-fluoro-3-methylanilino)cyclohexan-1-ol is Cc1cc(N[C@@H]2CCCC[C@H]2O)ccc1F.
What is the InChIKey of trans-(1R,2R)-2-(4-fluoro-3-methylanilino)cyclohexan-1-ol?
The InChIKey is WJPYJYHBEURNAK-CHWSQXEVSA-N. The full InChI is InChI=1S/C13H18FNO/c1-9-8-10(6-7-11(9)14)15-12-4-2-3-5-13(12)16/h6-8,12-13,15-16H,2-5H2,1H3/t12-,13-/m1/s1.
What are the key properties of trans-(1R,2R)-2-(4-fluoro-3-methylanilino)cyclohexan-1-ol?
trans-(1R,2R)-2-(4-fluoro-3-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-(4-fluoro-3-methylanilino)cyclohexan-1-ol is sourced from PubChem (CID 102731211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).