1-[1-(4-iodophenyl)cyclopentyl]ethanamine

C13H18IN — CID 117047031

IUPAC1-[1-(4-iodophenyl)cyclopentyl]ethanamine
SMILESCC(N)C1(c2ccc(I)cc2)CCCC1
InChIInChI=1S/C13H18IN/c1-10(15)13(8-2-3-9-13)11-4-6-12(14)7-5-11/h4-7,10H,2-3,8-9,15H2,1H3
InChIKeyPMOZOPOLEYHUOT-UHFFFAOYSA-N
MW315.20 g/mol
LogP3.45
Rot. Bonds2

About 1-[1-(4-iodophenyl)cyclopentyl]ethanamine

1-[1-(4-iodophenyl)cyclopentyl]ethanamine (PubChem CID 117047031) has the molecular formula C13H18IN and a molecular weight of 315.20 g/mol. Its IUPAC name is 1-[1-(4-iodophenyl)cyclopentyl]ethanamine.

Molecular Properties

Compound Name1-[1-(4-iodophenyl)cyclopentyl]ethanamine
PubChem CID117047031
Molecular FormulaC13H18IN
Molecular Weight315.20 g/mol
Exact Mass315.05
IUPAC Name1-[1-(4-iodophenyl)cyclopentyl]ethanamine
SMILESCC(N)C1(c2ccc(I)cc2)CCCC1
InChIInChI=1S/C13H18IN/c1-10(15)13(8-2-3-9-13)11-4-6-12(14)7-5-11/h4-7,10H,2-3,8-9,15H2,1H3
InChIKeyPMOZOPOLEYHUOT-UHFFFAOYSA-N
XLogP3.45
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.20
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-[1-(4-chlorophenyl)cyclopentyl]ethanamine
CID 83691849
1-(1-phenylcyclopentyl)ethanamine;hydrochloride
CID 75466877
(1R)-1-(1-phenylcyclohexyl)ethanamine
CID 78998571
1-[1-(4-cyclopropylphenyl)cyclopentyl]ethanamine
CID 117047052
1-[1-(4-iodophenyl)cyclobutyl]-N,N-dimethylethanamine
CID 13083152
1-[1-(4-methylsulfanylphenyl)cyclopropyl]ethanamine
CID 83702166
1-(4-iodophenyl)cyclopentan-1-amine
CID 117047029
acetylene;1-[1-(4-chlorophenyl)cyclobutyl]ethanamine;propane
CID 91613724
1-[1-(3-fluoro-4-iodophenyl)cyclopropyl]ethanamine
CID 117046693
1-(1-naphthalen-2-ylcyclohexyl)ethanamine
CID 24860835
1-[1-[4-(furan-2-yl)phenyl]cyclohexyl]ethanamine
CID 68673870
1-[1-[4-(2-fluoroethyl)phenyl]cyclopropyl]ethanamine
CID 117296645

Frequently Asked Questions

What is the IUPAC name of 1-[1-(4-iodophenyl)cyclopentyl]ethanamine?
The IUPAC name of 1-[1-(4-iodophenyl)cyclopentyl]ethanamine (CID 117047031) is 1-[1-(4-iodophenyl)cyclopentyl]ethanamine.
What is the SMILES notation for 1-[1-(4-iodophenyl)cyclopentyl]ethanamine?
The canonical SMILES for 1-[1-(4-iodophenyl)cyclopentyl]ethanamine is CC(N)C1(c2ccc(I)cc2)CCCC1.
What is the InChIKey of 1-[1-(4-iodophenyl)cyclopentyl]ethanamine?
The InChIKey is PMOZOPOLEYHUOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18IN/c1-10(15)13(8-2-3-9-13)11-4-6-12(14)7-5-11/h4-7,10H,2-3,8-9,15H2,1H3.
What are the key properties of 1-[1-(4-iodophenyl)cyclopentyl]ethanamine?
1-[1-(4-iodophenyl)cyclopentyl]ethanamine has a molecular weight of 315.20 g/mol, XLogP of 3.45, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(4-iodophenyl)cyclopentyl]ethanamine is sourced from PubChem (CID 117047031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).