2-(4-iodoanilino)cyclopentan-1-ol

C11H14INO — CID 60886056

IUPAC2-(4-iodoanilino)cyclopentan-1-ol
SMILESOC1CCCC1Nc1ccc(I)cc1
InChIInChI=1S/C11H14INO/c12-8-4-6-9(7-5-8)13-10-2-1-3-11(10)14/h4-7,10-11,13-14H,1-3H2
InChIKeyJROSAOYTGWCDML-UHFFFAOYSA-N
MW303.14 g/mol
LogP2.62
Rot. Bonds2

About 2-(4-iodoanilino)cyclopentan-1-ol

2-(4-iodoanilino)cyclopentan-1-ol (PubChem CID 60886056) has the molecular formula C11H14INO and a molecular weight of 303.14 g/mol. Its IUPAC name is 2-(4-iodoanilino)cyclopentan-1-ol.

Molecular Properties

Compound Name2-(4-iodoanilino)cyclopentan-1-ol
PubChem CID60886056
Molecular FormulaC11H14INO
Molecular Weight303.14 g/mol
Exact Mass303.01
IUPAC Name2-(4-iodoanilino)cyclopentan-1-ol
SMILESOC1CCCC1Nc1ccc(I)cc1
InChIInChI=1S/C11H14INO/c12-8-4-6-9(7-5-8)13-10-2-1-3-11(10)14/h4-7,10-11,13-14H,1-3H2
InChIKeyJROSAOYTGWCDML-UHFFFAOYSA-N
XLogP2.62
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.14
LogP ≤ 52.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

trans-(1S,2S)-2-(4-chloroanilino)cyclopentan-1-ol
CID 93345854
trans-(1S,2S)-2-(4-methylanilino)cyclopentan-1-ol
CID 93345908
trans-(1R,2R)-2-(3-iodoanilino)cyclopentan-1-ol
CID 102733058
(1R)-2-(4-methylanilino)cyclohexan-1-ol
CID 134547011
2-(4-aminoanilino)cyclohexan-1-ol
CID 62358477
trans-(1R,2R)-2-(4-propan-2-ylanilino)cyclopentan-1-ol
CID 102732975
trans-(1R,2R)-2-(3,4-dimethylanilino)cyclopentan-1-ol
CID 102732999
trans-(1S,2S)-2-[4-(trifluoromethyl)anilino]cyclopentan-1-ol
CID 102732964
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
2-(4-tert-butylanilino)cyclohexan-1-ol
CID 60884412
trans-(1S,2S)-2-(4-propylanilino)cyclopentan-1-ol
CID 102733091

Frequently Asked Questions

What is the IUPAC name of 2-(4-iodoanilino)cyclopentan-1-ol?
The IUPAC name of 2-(4-iodoanilino)cyclopentan-1-ol (CID 60886056) is 2-(4-iodoanilino)cyclopentan-1-ol.
What is the SMILES notation for 2-(4-iodoanilino)cyclopentan-1-ol?
The canonical SMILES for 2-(4-iodoanilino)cyclopentan-1-ol is OC1CCCC1Nc1ccc(I)cc1.
What is the InChIKey of 2-(4-iodoanilino)cyclopentan-1-ol?
The InChIKey is JROSAOYTGWCDML-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14INO/c12-8-4-6-9(7-5-8)13-10-2-1-3-11(10)14/h4-7,10-11,13-14H,1-3H2.
What are the key properties of 2-(4-iodoanilino)cyclopentan-1-ol?
2-(4-iodoanilino)cyclopentan-1-ol has a molecular weight of 303.14 g/mol, XLogP of 2.62, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-iodoanilino)cyclopentan-1-ol is sourced from PubChem (CID 60886056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).