trans-(1S,2S)-2-(4-chloroanilino)cyclopentan-1-ol

C11H14ClNO — CID 93345854

IUPACtrans-(1S,2S)-2-(4-chloroanilino)cyclopentan-1-ol
SMILESO[C@H]1CCC[C@@H]1Nc1ccc(Cl)cc1
InChIInChI=1S/C11H14ClNO/c12-8-4-6-9(7-5-8)13-10-2-1-3-11(10)14/h4-7,10-11,13-14H,1-3H2/t10-,11-/m0/s1
InChIKeyJFMFDZFAEKCXMY-QWRGUYRKSA-N
MW211.69 g/mol
LogP2.67
Rot. Bonds2

About trans-(1S,2S)-2-(4-chloroanilino)cyclopentan-1-ol

trans-(1S,2S)-2-(4-chloroanilino)cyclopentan-1-ol (PubChem CID 93345854) has the molecular formula C11H14ClNO and a molecular weight of 211.69 g/mol. Its IUPAC name is trans-(1S,2S)-2-(4-chloroanilino)cyclopentan-1-ol.

Molecular Properties

Compound Nametrans-(1S,2S)-2-(4-chloroanilino)cyclopentan-1-ol
PubChem CID93345854
Molecular FormulaC11H14ClNO
Molecular Weight211.69 g/mol
Exact Mass211.08
IUPAC Nametrans-(1S,2S)-2-(4-chloroanilino)cyclopentan-1-ol
SMILESO[C@H]1CCC[C@@H]1Nc1ccc(Cl)cc1
InChIInChI=1S/C11H14ClNO/c12-8-4-6-9(7-5-8)13-10-2-1-3-11(10)14/h4-7,10-11,13-14H,1-3H2/t10-,11-/m0/s1
InChIKeyJFMFDZFAEKCXMY-QWRGUYRKSA-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

2-(4-iodoanilino)cyclopentan-1-ol
CID 60886056
trans-(1S,2S)-2-(4-methylanilino)cyclopentan-1-ol
CID 93345908
trans-(1R,2R)-2-(4-propan-2-ylanilino)cyclopentan-1-ol
CID 102732975
1-(4-chlorophenyl)-3-[(1R,2R)-2-hydroxycyclopentyl]urea
CID 40546318
(1S)-2-(3-chloroanilino)cyclopentan-1-ol
CID 167050048
(1R)-2-(4-methylanilino)cyclohexan-1-ol
CID 134547011
2-(4-aminoanilino)cyclohexan-1-ol
CID 62358477
trans-(1S,2S)-2-(3,4-difluoroanilino)cyclohexan-1-ol
CID 102730932
trans-(1S,2S)-2-[4-(trifluoromethyl)anilino]cyclopentan-1-ol
CID 102732964
2-(4-bromo-3-chloroanilino)cyclopentan-1-ol
CID 107619823
trans-(1R,2R)-2-(4-piperidin-1-ylanilino)cyclopentan-1-ol
CID 102733438
trans-(1S,2S)-2-(4-piperidin-1-ylanilino)cyclopentan-1-ol
CID 102733437

Frequently Asked Questions

What is the IUPAC name of trans-(1S,2S)-2-(4-chloroanilino)cyclopentan-1-ol?
The IUPAC name of trans-(1S,2S)-2-(4-chloroanilino)cyclopentan-1-ol (CID 93345854) is trans-(1S,2S)-2-(4-chloroanilino)cyclopentan-1-ol.
What is the SMILES notation for trans-(1S,2S)-2-(4-chloroanilino)cyclopentan-1-ol?
The canonical SMILES for trans-(1S,2S)-2-(4-chloroanilino)cyclopentan-1-ol is O[C@H]1CCC[C@@H]1Nc1ccc(Cl)cc1.
What is the InChIKey of trans-(1S,2S)-2-(4-chloroanilino)cyclopentan-1-ol?
The InChIKey is JFMFDZFAEKCXMY-QWRGUYRKSA-N. The full InChI is InChI=1S/C11H14ClNO/c12-8-4-6-9(7-5-8)13-10-2-1-3-11(10)14/h4-7,10-11,13-14H,1-3H2/t10-,11-/m0/s1.
What are the key properties of trans-(1S,2S)-2-(4-chloroanilino)cyclopentan-1-ol?
trans-(1S,2S)-2-(4-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-(1S,2S)-2-(4-chloroanilino)cyclopentan-1-ol is sourced from PubChem (CID 93345854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).