trans-(1R,2R)-2-(2-chloroanilino)cyclopentan-1-ol

C11H14ClNO — CID 93345869

IUPACtrans-(1R,2R)-2-(2-chloroanilino)cyclopentan-1-ol
SMILESO[C@@H]1CCC[C@H]1Nc1ccccc1Cl
InChIInChI=1S/C11H14ClNO/c12-8-4-1-2-5-9(8)13-10-6-3-7-11(10)14/h1-2,4-5,10-11,13-14H,3,6-7H2/t10-,11-/m1/s1
InChIKeyYXXTYANVBPPGJY-GHMZBOCLSA-N
MW211.69 g/mol
LogP2.67
Rot. Bonds2

About trans-(1R,2R)-2-(2-chloroanilino)cyclopentan-1-ol

trans-(1R,2R)-2-(2-chloroanilino)cyclopentan-1-ol (PubChem CID 93345869) has the molecular formula C11H14ClNO and a molecular weight of 211.69 g/mol. Its IUPAC name is trans-(1R,2R)-2-(2-chloroanilino)cyclopentan-1-ol.

Molecular Properties

Compound Nametrans-(1R,2R)-2-(2-chloroanilino)cyclopentan-1-ol
PubChem CID93345869
Molecular FormulaC11H14ClNO
Molecular Weight211.69 g/mol
Exact Mass211.08
IUPAC Nametrans-(1R,2R)-2-(2-chloroanilino)cyclopentan-1-ol
SMILESO[C@@H]1CCC[C@H]1Nc1ccccc1Cl
InChIInChI=1S/C11H14ClNO/c12-8-4-1-2-5-9(8)13-10-6-3-7-11(10)14/h1-2,4-5,10-11,13-14H,3,6-7H2/t10-,11-/m1/s1
InChIKeyYXXTYANVBPPGJY-GHMZBOCLSA-N
XLogP2.67
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.69
LogP ≤ 52.67
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-fluoroanilino)cyclopentan-1-ol
CID 93345872
2-(2-chloro-4-iodoanilino)cyclopentan-1-ol
CID 107606370
2-(2-chloroanilino)cyclopentane-1-carbonitrile
CID 62741656
trans-(1S,2S)-2-(2,5-dichloroanilino)cyclohexan-1-ol
CID 102730840
trans-(1S,2S)-2-(2-chloro-5-fluoroanilino)cyclohexan-1-ol
CID 107528235
2-[(2-hydroxycyclopentyl)amino]benzamide
CID 121349266
trans-(1R,2R)-2-(2-benzylanilino)cyclopentan-1-ol
CID 102732984
2-chloro-N-(2-ethylcyclohexyl)aniline
CID 63863576
(3S,4R)-4-(2-chloroanilino)-1,1-dioxothiolan-3-ol
CID 2435929
trans-(1R,2R)-2-(2-benzylanilino)cyclohexan-1-ol
CID 102730921
2-(naphthalen-1-ylamino)cycloheptan-1-ol
CID 60897825

Frequently Asked Questions

What is the IUPAC name of trans-(1R,2R)-2-(2-chloroanilino)cyclopentan-1-ol?
The IUPAC name of trans-(1R,2R)-2-(2-chloroanilino)cyclopentan-1-ol (CID 93345869) is trans-(1R,2R)-2-(2-chloroanilino)cyclopentan-1-ol.
What is the SMILES notation for trans-(1R,2R)-2-(2-chloroanilino)cyclopentan-1-ol?
The canonical SMILES for trans-(1R,2R)-2-(2-chloroanilino)cyclopentan-1-ol is O[C@@H]1CCC[C@H]1Nc1ccccc1Cl.
What is the InChIKey of trans-(1R,2R)-2-(2-chloroanilino)cyclopentan-1-ol?
The InChIKey is YXXTYANVBPPGJY-GHMZBOCLSA-N. The full InChI is InChI=1S/C11H14ClNO/c12-8-4-1-2-5-9(8)13-10-6-3-7-11(10)14/h1-2,4-5,10-11,13-14H,3,6-7H2/t10-,11-/m1/s1.
What are the key properties of trans-(1R,2R)-2-(2-chloroanilino)cyclopentan-1-ol?
trans-(1R,2R)-2-(2-chloroanilino)cyclopentan-1-ol has a molecular weight of 211.69 g/mol, XLogP of 2.67, 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-(2-chloroanilino)cyclopentan-1-ol is sourced from PubChem (CID 93345869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).