2-(4-iodophenyl)-1-(3-methylcyclopentyl)ethanamine

C14H20IN — CID 65476305

IUPAC2-(4-iodophenyl)-1-(3-methylcyclopentyl)ethanamine
SMILESCC1CCC(C(N)Cc2ccc(I)cc2)C1
InChIInChI=1S/C14H20IN/c1-10-2-5-12(8-10)14(16)9-11-3-6-13(15)7-4-11/h3-4,6-7,10,12,14H,2,5,8-9,16H2,1H3
InChIKeySDLPMGZVCLCQLT-UHFFFAOYSA-N
MW329.23 g/mol
LogP3.60
Rot. Bonds3

About 2-(4-iodophenyl)-1-(3-methylcyclopentyl)ethanamine

2-(4-iodophenyl)-1-(3-methylcyclopentyl)ethanamine (PubChem CID 65476305) has the molecular formula C14H20IN and a molecular weight of 329.23 g/mol. Its IUPAC name is 2-(4-iodophenyl)-1-(3-methylcyclopentyl)ethanamine.

Molecular Properties

Compound Name2-(4-iodophenyl)-1-(3-methylcyclopentyl)ethanamine
PubChem CID65476305
Molecular FormulaC14H20IN
Molecular Weight329.23 g/mol
Exact Mass329.06
IUPAC Name2-(4-iodophenyl)-1-(3-methylcyclopentyl)ethanamine
SMILESCC1CCC(C(N)Cc2ccc(I)cc2)C1
InChIInChI=1S/C14H20IN/c1-10-2-5-12(8-10)14(16)9-11-3-6-13(15)7-4-11/h3-4,6-7,10,12,14H,2,5,8-9,16H2,1H3
InChIKeySDLPMGZVCLCQLT-UHFFFAOYSA-N
XLogP3.60
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.23
LogP ≤ 53.60
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

2-(4-iodophenyl)-1-(3-methylcyclohexyl)ethanamine
CID 65477706
2-(4-fluorophenyl)-1-(3-methylcyclopentyl)ethanamine
CID 65414568
2-(4-ethylphenyl)-1-(3-methylcyclohexyl)ethanamine
CID 55188328
2-(4-iodophenyl)-1-(thiolan-3-yl)ethanamine
CID 105151993
[2-(4-iodophenyl)-1-(3-methylcyclohexyl)ethyl]hydrazine
CID 105210294
2-(3,4-dimethylphenyl)-1-(4-methylcyclohexyl)ethanamine
CID 63415430
1-(3-methylcyclopentyl)-2-[3-(trifluoromethyl)phenyl]ethanamine
CID 65415364
1-cyclopropyl-2-(4-methylphenyl)ethanamine
CID 60818816
1-(3-methylcyclopentyl)-2-naphthalen-1-ylethanamine
CID 65413962
1-(2-adamantyl)-2-(4-iodophenyl)ethanamine
CID 115864147
2-(3-chloro-4-fluorophenyl)-1-(3-methylcyclohexyl)ethanamine
CID 103039934
2-(4-methylphenyl)-1-(4-propan-2-ylcyclohexyl)ethanamine
CID 65423604

Frequently Asked Questions

What is the IUPAC name of 2-(4-iodophenyl)-1-(3-methylcyclopentyl)ethanamine?
The IUPAC name of 2-(4-iodophenyl)-1-(3-methylcyclopentyl)ethanamine (CID 65476305) is 2-(4-iodophenyl)-1-(3-methylcyclopentyl)ethanamine.
What is the SMILES notation for 2-(4-iodophenyl)-1-(3-methylcyclopentyl)ethanamine?
The canonical SMILES for 2-(4-iodophenyl)-1-(3-methylcyclopentyl)ethanamine is CC1CCC(C(N)Cc2ccc(I)cc2)C1.
What is the InChIKey of 2-(4-iodophenyl)-1-(3-methylcyclopentyl)ethanamine?
The InChIKey is SDLPMGZVCLCQLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20IN/c1-10-2-5-12(8-10)14(16)9-11-3-6-13(15)7-4-11/h3-4,6-7,10,12,14H,2,5,8-9,16H2,1H3.
What are the key properties of 2-(4-iodophenyl)-1-(3-methylcyclopentyl)ethanamine?
2-(4-iodophenyl)-1-(3-methylcyclopentyl)ethanamine has a molecular weight of 329.23 g/mol, XLogP of 3.60, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-iodophenyl)-1-(3-methylcyclopentyl)ethanamine is sourced from PubChem (CID 65476305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).