(1S)-2-(3-chloroanilino)cyclopentan-1-ol

C11H14ClNO — CID 167050048

IUPAC(1S)-2-(3-chloroanilino)cyclopentan-1-ol
SMILESO[C@H]1CCCC1Nc1cccc(Cl)c1
InChIInChI=1S/C11H14ClNO/c12-8-3-1-4-9(7-8)13-10-5-2-6-11(10)14/h1,3-4,7,10-11,13-14H,2,5-6H2/t10?,11-/m0/s1
InChIKeyMJKJCIXRMZZKJX-DTIOYNMSSA-N
MW211.69 g/mol
LogP2.67
Rot. Bonds2

About (1S)-2-(3-chloroanilino)cyclopentan-1-ol

(1S)-2-(3-chloroanilino)cyclopentan-1-ol (PubChem CID 167050048) has the molecular formula C11H14ClNO and a molecular weight of 211.69 g/mol. Its IUPAC name is (1S)-2-(3-chloroanilino)cyclopentan-1-ol.

Molecular Properties

Compound Name(1S)-2-(3-chloroanilino)cyclopentan-1-ol
PubChem CID167050048
Molecular FormulaC11H14ClNO
Molecular Weight211.69 g/mol
Exact Mass211.08
IUPAC Name(1S)-2-(3-chloroanilino)cyclopentan-1-ol
SMILESO[C@H]1CCCC1Nc1cccc(Cl)c1
InChIInChI=1S/C11H14ClNO/c12-8-3-1-4-9(7-8)13-10-5-2-6-11(10)14/h1,3-4,7,10-11,13-14H,2,5-6H2/t10?,11-/m0/s1
InChIKeyMJKJCIXRMZZKJX-DTIOYNMSSA-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-(1R,2R)-2-(3-fluoroanilino)cyclopentan-1-ol
CID 93345851
trans-(1R,2R)-2-(3-bromoanilino)cyclopentan-1-ol
CID 102733003
trans-(1R,2R)-2-(3-iodoanilino)cyclopentan-1-ol
CID 102733058
trans-(1S,2S)-2-(4-chloroanilino)cyclopentan-1-ol
CID 93345854
2-(3-bromoanilino)cyclohexan-1-ol
CID 60884414
trans-(1S,2S)-2-(3-methoxyanilino)cyclopentan-1-ol
CID 93345904
3-chloro-N-[2-(trifluoromethyl)cyclohexyl]aniline
CID 64758672
2-(3-methylsulfanylanilino)cyclopentan-1-ol
CID 60886676
1-(3-chlorophenyl)-3-(2-hydroxycyclohexyl)urea
CID 3449806
2-(4-bromo-3-chloroanilino)cyclopentan-1-ol
CID 107619823
2-(3-chloroanilino)cycloheptane-1-carbonitrile
CID 62743508
trans-(1S,2S)-2-(2,5-dichloroanilino)cyclopentan-1-ol
CID 102732904

Frequently Asked Questions

What is the IUPAC name of (1S)-2-(3-chloroanilino)cyclopentan-1-ol?
The IUPAC name of (1S)-2-(3-chloroanilino)cyclopentan-1-ol (CID 167050048) is (1S)-2-(3-chloroanilino)cyclopentan-1-ol.
What is the SMILES notation for (1S)-2-(3-chloroanilino)cyclopentan-1-ol?
The canonical SMILES for (1S)-2-(3-chloroanilino)cyclopentan-1-ol is O[C@H]1CCCC1Nc1cccc(Cl)c1.
What is the InChIKey of (1S)-2-(3-chloroanilino)cyclopentan-1-ol?
The InChIKey is MJKJCIXRMZZKJX-DTIOYNMSSA-N. The full InChI is InChI=1S/C11H14ClNO/c12-8-3-1-4-9(7-8)13-10-5-2-6-11(10)14/h1,3-4,7,10-11,13-14H,2,5-6H2/t10?,11-/m0/s1.
What are the key properties of (1S)-2-(3-chloroanilino)cyclopentan-1-ol?
(1S)-2-(3-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 (1S)-2-(3-chloroanilino)cyclopentan-1-ol is sourced from PubChem (CID 167050048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).