1-(5-bromothiophen-3-yl)-2-(4-iodophenyl)ethanamine

C12H11BrINS — CID 105151941

IUPAC1-(5-bromothiophen-3-yl)-2-(4-iodophenyl)ethanamine
SMILESNC(Cc1ccc(I)cc1)c1csc(Br)c1
InChIInChI=1S/C12H11BrINS/c13-12-6-9(7-16-12)11(15)5-8-1-3-10(14)4-2-8/h1-4,6-7,11H,5,15H2
InChIKeyLVGFAMVJTSSZAX-UHFFFAOYSA-N
MW408.10 g/mol
LogP4.36
Rot. Bonds3

About 1-(5-bromothiophen-3-yl)-2-(4-iodophenyl)ethanamine

1-(5-bromothiophen-3-yl)-2-(4-iodophenyl)ethanamine (PubChem CID 105151941) has the molecular formula C12H11BrINS and a molecular weight of 408.10 g/mol. Its IUPAC name is 1-(5-bromothiophen-3-yl)-2-(4-iodophenyl)ethanamine.

Molecular Properties

Compound Name1-(5-bromothiophen-3-yl)-2-(4-iodophenyl)ethanamine
PubChem CID105151941
Molecular FormulaC12H11BrINS
Molecular Weight408.10 g/mol
Exact Mass406.88
IUPAC Name1-(5-bromothiophen-3-yl)-2-(4-iodophenyl)ethanamine
SMILESNC(Cc1ccc(I)cc1)c1csc(Br)c1
InChIInChI=1S/C12H11BrINS/c13-12-6-9(7-16-12)11(15)5-8-1-3-10(14)4-2-8/h1-4,6-7,11H,5,15H2
InChIKeyLVGFAMVJTSSZAX-UHFFFAOYSA-N
XLogP4.36
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.10
LogP ≤ 54.36
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

2-(4-bromophenyl)-1-(5-bromothiophen-3-yl)ethanamine
CID 105089162
1,2-bis(4-iodophenyl)ethanamine
CID 115863933
1-(5-bromothiophen-3-yl)-2-(3-methylphenyl)ethanamine
CID 105091201
1-(5-bromothiophen-3-yl)-2-(3-fluorophenyl)ethanamine
CID 105095905
1-(5-bromothiophen-3-yl)-2-(2,3-difluorophenyl)ethanamine
CID 105137743
2-(4-ethylphenyl)-1-(4-iodophenyl)ethanamine
CID 115802841
2-(4-iodophenyl)-1-(4-methylphenyl)ethanamine
CID 65477285
1-(5-bromothiophen-3-yl)-2-(4-phenyl-1,3-thiazol-2-yl)ethanamine
CID 105164416
1-(5-bromothiophen-3-yl)-2-pyridin-2-ylethanamine
CID 105158058
1-(3-chlorothiophen-2-yl)-2-(4-iodophenyl)ethanamine
CID 115864309
2-bromo-4-[2-(4-bromophenyl)-1-chloroethyl]thiophene
CID 107965739
2-(4-chlorophenyl)-1-(5-methylthiophen-3-yl)ethanamine
CID 65104441

Frequently Asked Questions

What is the IUPAC name of 1-(5-bromothiophen-3-yl)-2-(4-iodophenyl)ethanamine?
The IUPAC name of 1-(5-bromothiophen-3-yl)-2-(4-iodophenyl)ethanamine (CID 105151941) is 1-(5-bromothiophen-3-yl)-2-(4-iodophenyl)ethanamine.
What is the SMILES notation for 1-(5-bromothiophen-3-yl)-2-(4-iodophenyl)ethanamine?
The canonical SMILES for 1-(5-bromothiophen-3-yl)-2-(4-iodophenyl)ethanamine is NC(Cc1ccc(I)cc1)c1csc(Br)c1.
What is the InChIKey of 1-(5-bromothiophen-3-yl)-2-(4-iodophenyl)ethanamine?
The InChIKey is LVGFAMVJTSSZAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11BrINS/c13-12-6-9(7-16-12)11(15)5-8-1-3-10(14)4-2-8/h1-4,6-7,11H,5,15H2.
What are the key properties of 1-(5-bromothiophen-3-yl)-2-(4-iodophenyl)ethanamine?
1-(5-bromothiophen-3-yl)-2-(4-iodophenyl)ethanamine has a molecular weight of 408.10 g/mol, XLogP of 4.36, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromothiophen-3-yl)-2-(4-iodophenyl)ethanamine is sourced from PubChem (CID 105151941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).