2-[1-(4-iodophenyl)ethylamino]cyclopentan-1-ol

C13H18INO — CID 115891348

IUPAC2-[1-(4-iodophenyl)ethylamino]cyclopentan-1-ol
SMILESCC(NC1CCCC1O)c1ccc(I)cc1
InChIInChI=1S/C13H18INO/c1-9(10-5-7-11(14)8-6-10)15-12-3-2-4-13(12)16/h5-9,12-13,15-16H,2-4H2,1H3
InChIKeyCACJBESKGLFHCU-UHFFFAOYSA-N
MW331.20 g/mol
LogP2.86
Rot. Bonds3

About 2-[1-(4-iodophenyl)ethylamino]cyclopentan-1-ol

2-[1-(4-iodophenyl)ethylamino]cyclopentan-1-ol (PubChem CID 115891348) has the molecular formula C13H18INO and a molecular weight of 331.20 g/mol. Its IUPAC name is 2-[1-(4-iodophenyl)ethylamino]cyclopentan-1-ol.

Molecular Properties

Compound Name2-[1-(4-iodophenyl)ethylamino]cyclopentan-1-ol
PubChem CID115891348
Molecular FormulaC13H18INO
Molecular Weight331.20 g/mol
Exact Mass331.04
IUPAC Name2-[1-(4-iodophenyl)ethylamino]cyclopentan-1-ol
SMILESCC(NC1CCCC1O)c1ccc(I)cc1
InChIInChI=1S/C13H18INO/c1-9(10-5-7-11(14)8-6-10)15-12-3-2-4-13(12)16/h5-9,12-13,15-16H,2-4H2,1H3
InChIKeyCACJBESKGLFHCU-UHFFFAOYSA-N
XLogP2.86
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.20
LogP ≤ 52.86
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-(1R,2R)-2-[[(1S)-1-phenylethyl]amino]cyclopentan-1-ol
CID 10035860
trans-(1R,2R)-2-[[(1R)-1-phenylethyl]amino]cyclopentan-1-ol
CID 10171980
2-(1-pyridin-4-ylethylamino)cyclopentan-1-ol
CID 60713516
2-[[(1R)-1-(4-chlorophenyl)ethyl]amino]cyclohexan-1-ol
CID 81352447
trans-(1R,2R)-2-(1-pyridin-4-ylethylamino)cyclopentan-1-ol
CID 102733108
2-[[(1R)-1-(4-chlorophenyl)ethyl]amino]cycloheptan-1-ol
CID 81352634
2-[[(1R)-1-(4-methoxyphenyl)ethyl]amino]cyclohexan-1-ol
CID 81371394
2-[1-[4-(trifluoromethyl)phenyl]ethylamino]cyclohexan-1-ol
CID 62366668
trans-(1S,2S)-2-(1-thiophen-3-ylethylamino)cyclopentan-1-ol
CID 102733418
N-[1-(4-iodophenyl)ethyl]-2-methyloxolan-3-amine
CID 82725741
trans-(1R,2R)-2-[1-(3-fluorophenyl)ethylamino]cyclopentan-1-ol
CID 102733281
2-[1-(3-chlorophenyl)ethylamino]cyclopentan-1-ol
CID 60713491

Frequently Asked Questions

What is the IUPAC name of 2-[1-(4-iodophenyl)ethylamino]cyclopentan-1-ol?
The IUPAC name of 2-[1-(4-iodophenyl)ethylamino]cyclopentan-1-ol (CID 115891348) is 2-[1-(4-iodophenyl)ethylamino]cyclopentan-1-ol.
What is the SMILES notation for 2-[1-(4-iodophenyl)ethylamino]cyclopentan-1-ol?
The canonical SMILES for 2-[1-(4-iodophenyl)ethylamino]cyclopentan-1-ol is CC(NC1CCCC1O)c1ccc(I)cc1.
What is the InChIKey of 2-[1-(4-iodophenyl)ethylamino]cyclopentan-1-ol?
The InChIKey is CACJBESKGLFHCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18INO/c1-9(10-5-7-11(14)8-6-10)15-12-3-2-4-13(12)16/h5-9,12-13,15-16H,2-4H2,1H3.
What are the key properties of 2-[1-(4-iodophenyl)ethylamino]cyclopentan-1-ol?
2-[1-(4-iodophenyl)ethylamino]cyclopentan-1-ol has a molecular weight of 331.20 g/mol, XLogP of 2.86, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(4-iodophenyl)ethylamino]cyclopentan-1-ol is sourced from PubChem (CID 115891348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).