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

C11H13Cl2NO — CID 102732904

IUPACtrans-(1S,2S)-2-(2,5-dichloroanilino)cyclopentan-1-ol
SMILESO[C@H]1CCC[C@@H]1Nc1cc(Cl)ccc1Cl
InChIInChI=1S/C11H13Cl2NO/c12-7-4-5-8(13)10(6-7)14-9-2-1-3-11(9)15/h4-6,9,11,14-15H,1-3H2/t9-,11-/m0/s1
InChIKeyLPQXYVQXIXJWAU-ONGXEEELSA-N
MW246.14 g/mol
LogP3.32
Rot. Bonds2

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

trans-(1S,2S)-2-(2,5-dichloroanilino)cyclopentan-1-ol (PubChem CID 102732904) has the molecular formula C11H13Cl2NO and a molecular weight of 246.14 g/mol. Its IUPAC name is trans-(1S,2S)-2-(2,5-dichloroanilino)cyclopentan-1-ol.

Molecular Properties

Compound Nametrans-(1S,2S)-2-(2,5-dichloroanilino)cyclopentan-1-ol
PubChem CID102732904
Molecular FormulaC11H13Cl2NO
Molecular Weight246.14 g/mol
Exact Mass245.04
IUPAC Nametrans-(1S,2S)-2-(2,5-dichloroanilino)cyclopentan-1-ol
SMILESO[C@H]1CCC[C@@H]1Nc1cc(Cl)ccc1Cl
InChIInChI=1S/C11H13Cl2NO/c12-7-4-5-8(13)10(6-7)14-9-2-1-3-11(9)15/h4-6,9,11,14-15H,1-3H2/t9-,11-/m0/s1
InChIKeyLPQXYVQXIXJWAU-ONGXEEELSA-N
XLogP3.32
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.14
LogP ≤ 53.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

trans-(1S,2S)-2-(2,5-dichloroanilino)cyclohexan-1-ol
CID 102730840
trans-(1S,2S)-2-(2-bromo-5-chloroanilino)cyclopentan-1-ol
CID 102733775
trans-(1S,2S)-2-(2-chloro-5-fluoroanilino)cyclohexan-1-ol
CID 107528235
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-(4-chloro-2-fluoroanilino)cyclohexan-1-ol
CID 102731106
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
trans-(1S,2S)-2-(2-fluoro-5-methylanilino)cyclopentan-1-ol
CID 93345925
trans-(1S,2S)-2-[(6-chloroquinolin-4-yl)amino]cyclohexan-1-ol
CID 133495334

Frequently Asked Questions

What is the IUPAC name of trans-(1S,2S)-2-(2,5-dichloroanilino)cyclopentan-1-ol?
The IUPAC name of trans-(1S,2S)-2-(2,5-dichloroanilino)cyclopentan-1-ol (CID 102732904) is trans-(1S,2S)-2-(2,5-dichloroanilino)cyclopentan-1-ol.
What is the SMILES notation for trans-(1S,2S)-2-(2,5-dichloroanilino)cyclopentan-1-ol?
The canonical SMILES for trans-(1S,2S)-2-(2,5-dichloroanilino)cyclopentan-1-ol is O[C@H]1CCC[C@@H]1Nc1cc(Cl)ccc1Cl.
What is the InChIKey of trans-(1S,2S)-2-(2,5-dichloroanilino)cyclopentan-1-ol?
The InChIKey is LPQXYVQXIXJWAU-ONGXEEELSA-N. The full InChI is InChI=1S/C11H13Cl2NO/c12-7-4-5-8(13)10(6-7)14-9-2-1-3-11(9)15/h4-6,9,11,14-15H,1-3H2/t9-,11-/m0/s1.
What are the key properties of trans-(1S,2S)-2-(2,5-dichloroanilino)cyclopentan-1-ol?
trans-(1S,2S)-2-(2,5-dichloroanilino)cyclopentan-1-ol has a molecular weight of 246.14 g/mol, XLogP of 3.32, 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)cyclopentan-1-ol is sourced from PubChem (CID 102732904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).