1-(3-chlorothiophen-2-yl)-2-(4-iodophenyl)ethanamine

C12H11ClINS — CID 115864309

IUPAC1-(3-chlorothiophen-2-yl)-2-(4-iodophenyl)ethanamine
SMILESNC(Cc1ccc(I)cc1)c1sccc1Cl
InChIInChI=1S/C12H11ClINS/c13-10-5-6-16-12(10)11(15)7-8-1-3-9(14)4-2-8/h1-6,11H,7,15H2
InChIKeyVEOFGQLOFFOZLX-UHFFFAOYSA-N
MW363.65 g/mol
LogP4.25
Rot. Bonds3

About 1-(3-chlorothiophen-2-yl)-2-(4-iodophenyl)ethanamine

1-(3-chlorothiophen-2-yl)-2-(4-iodophenyl)ethanamine (PubChem CID 115864309) has the molecular formula C12H11ClINS and a molecular weight of 363.65 g/mol. Its IUPAC name is 1-(3-chlorothiophen-2-yl)-2-(4-iodophenyl)ethanamine.

Molecular Properties

Compound Name1-(3-chlorothiophen-2-yl)-2-(4-iodophenyl)ethanamine
PubChem CID115864309
Molecular FormulaC12H11ClINS
Molecular Weight363.65 g/mol
Exact Mass362.93
IUPAC Name1-(3-chlorothiophen-2-yl)-2-(4-iodophenyl)ethanamine
SMILESNC(Cc1ccc(I)cc1)c1sccc1Cl
InChIInChI=1S/C12H11ClINS/c13-10-5-6-16-12(10)11(15)7-8-1-3-9(14)4-2-8/h1-6,11H,7,15H2
InChIKeyVEOFGQLOFFOZLX-UHFFFAOYSA-N
XLogP4.25
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.65
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-(3-chlorothiophen-2-yl)-2-(furan-3-yl)ethanamine
CID 105030098
1-(3-chlorothiophen-2-yl)-2-(2,3-dihydro-1H-inden-5-yl)ethanamine
CID 115865039
1-(3-chlorothiophen-2-yl)-2-(3,4-dimethoxyphenyl)ethanamine
CID 80529864
(1R)-1-(3-chlorothiophen-2-yl)-2-fluoroethanamine
CID 130714620
(1R)-1-(3-chlorothiophen-2-yl)-2-methoxyethanamine
CID 130987016
1-(3-chlorothiophen-2-yl)-2-(4-methyl-1,3-thiazol-2-yl)ethanamine
CID 105019424
3-chloro-2-[chloro-(4-iodophenyl)methyl]thiophene
CID 80530382
1,2-bis(4-iodophenyl)ethanamine
CID 115863933
1-(5-chlorothiophen-2-yl)-2-(4-iodophenyl)ethanamine
CID 115864081
2-(4-chloro-2-fluorophenyl)-1-(3-chlorothiophen-2-yl)ethanamine
CID 105055486
(3-chlorothiophen-2-yl)-(4-iodophenyl)methanol
CID 80530245
1-(3-chlorothiophen-2-yl)-2-[(2-methylpropan-2-yl)oxy]ethanamine
CID 107361905

Frequently Asked Questions

What is the IUPAC name of 1-(3-chlorothiophen-2-yl)-2-(4-iodophenyl)ethanamine?
The IUPAC name of 1-(3-chlorothiophen-2-yl)-2-(4-iodophenyl)ethanamine (CID 115864309) is 1-(3-chlorothiophen-2-yl)-2-(4-iodophenyl)ethanamine.
What is the SMILES notation for 1-(3-chlorothiophen-2-yl)-2-(4-iodophenyl)ethanamine?
The canonical SMILES for 1-(3-chlorothiophen-2-yl)-2-(4-iodophenyl)ethanamine is NC(Cc1ccc(I)cc1)c1sccc1Cl.
What is the InChIKey of 1-(3-chlorothiophen-2-yl)-2-(4-iodophenyl)ethanamine?
The InChIKey is VEOFGQLOFFOZLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11ClINS/c13-10-5-6-16-12(10)11(15)7-8-1-3-9(14)4-2-8/h1-6,11H,7,15H2.
What are the key properties of 1-(3-chlorothiophen-2-yl)-2-(4-iodophenyl)ethanamine?
1-(3-chlorothiophen-2-yl)-2-(4-iodophenyl)ethanamine has a molecular weight of 363.65 g/mol, XLogP of 4.25, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chlorothiophen-2-yl)-2-(4-iodophenyl)ethanamine is sourced from PubChem (CID 115864309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).