trans-(1S,2S)-2-(2,5-dichloroanilino)cyclohexan-1-ol

C12H15Cl2NO — CID 102730840

IUPACtrans-(1S,2S)-2-(2,5-dichloroanilino)cyclohexan-1-ol
SMILESO[C@H]1CCCC[C@@H]1Nc1cc(Cl)ccc1Cl
InChIInChI=1S/C12H15Cl2NO/c13-8-5-6-9(14)11(7-8)15-10-3-1-2-4-12(10)16/h5-7,10,12,15-16H,1-4H2/t10-,12-/m0/s1
InChIKeySBZQGEJPHUFGJT-JQWIXIFHSA-N
MW260.16 g/mol
LogP3.71
Rot. Bonds2

About trans-(1S,2S)-2-(2,5-dichloroanilino)cyclohexan-1-ol

trans-(1S,2S)-2-(2,5-dichloroanilino)cyclohexan-1-ol (PubChem CID 102730840) has the molecular formula C12H15Cl2NO and a molecular weight of 260.16 g/mol. Its IUPAC name is trans-(1S,2S)-2-(2,5-dichloroanilino)cyclohexan-1-ol.

Molecular Properties

Compound Nametrans-(1S,2S)-2-(2,5-dichloroanilino)cyclohexan-1-ol
PubChem CID102730840
Molecular FormulaC12H15Cl2NO
Molecular Weight260.16 g/mol
Exact Mass259.05
IUPAC Nametrans-(1S,2S)-2-(2,5-dichloroanilino)cyclohexan-1-ol
SMILESO[C@H]1CCCC[C@@H]1Nc1cc(Cl)ccc1Cl
InChIInChI=1S/C12H15Cl2NO/c13-8-5-6-9(14)11(7-8)15-10-3-1-2-4-12(10)16/h5-7,10,12,15-16H,1-4H2/t10-,12-/m0/s1
InChIKeySBZQGEJPHUFGJT-JQWIXIFHSA-N
XLogP3.71
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.16
LogP ≤ 53.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

trans-(1S,2S)-2-(2,5-dichloroanilino)cyclopentan-1-ol
CID 102732904
trans-(1S,2S)-2-(2-chloro-5-fluoroanilino)cyclohexan-1-ol
CID 107528235
trans-(1S,2S)-2-(4-chloro-2-fluoroanilino)cyclohexan-1-ol
CID 102731106
trans-(1S,2S)-2-(2-bromo-5-chloroanilino)cyclopentan-1-ol
CID 102733775
2-(4-chloro-2-methylanilino)cyclopentan-1-ol
CID 25130591
trans-(1R,2R)-2-(2-chloroanilino)cyclopentan-1-ol
CID 93345869
trans-(1S,2S)-2-[(6-chloroquinolin-4-yl)amino]cyclohexan-1-ol
CID 133495334
trans-(1R,2R)-2-(2,4,5-trifluoroanilino)cyclohexan-1-ol
CID 102731209
trans-(1S,2S)-2-(4-chloroanilino)cyclopentan-1-ol
CID 93345854
2-(2-chloro-4-iodoanilino)cyclopentan-1-ol
CID 107606370
(1S)-2-(3-chloroanilino)cyclopentan-1-ol
CID 167050048
2,5-dichloro-N-(2,6-dimethylcyclohexyl)aniline
CID 43097322

Frequently Asked Questions

What is the IUPAC name of trans-(1S,2S)-2-(2,5-dichloroanilino)cyclohexan-1-ol?
The IUPAC name of trans-(1S,2S)-2-(2,5-dichloroanilino)cyclohexan-1-ol (CID 102730840) is trans-(1S,2S)-2-(2,5-dichloroanilino)cyclohexan-1-ol.
What is the SMILES notation for trans-(1S,2S)-2-(2,5-dichloroanilino)cyclohexan-1-ol?
The canonical SMILES for trans-(1S,2S)-2-(2,5-dichloroanilino)cyclohexan-1-ol is O[C@H]1CCCC[C@@H]1Nc1cc(Cl)ccc1Cl.
What is the InChIKey of trans-(1S,2S)-2-(2,5-dichloroanilino)cyclohexan-1-ol?
The InChIKey is SBZQGEJPHUFGJT-JQWIXIFHSA-N. The full InChI is InChI=1S/C12H15Cl2NO/c13-8-5-6-9(14)11(7-8)15-10-3-1-2-4-12(10)16/h5-7,10,12,15-16H,1-4H2/t10-,12-/m0/s1.
What are the key properties of trans-(1S,2S)-2-(2,5-dichloroanilino)cyclohexan-1-ol?
trans-(1S,2S)-2-(2,5-dichloroanilino)cyclohexan-1-ol has a molecular weight of 260.16 g/mol, XLogP of 3.71, 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-(2,5-dichloroanilino)cyclohexan-1-ol is sourced from PubChem (CID 102730840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).