2-(5-bromothiophen-2-yl)-N-iodoethanamine

C6H7BrINS — CID 134427981

IUPAC2-(5-bromothiophen-2-yl)-N-iodoethanamine
SMILESBrc1ccc(CCNI)s1
InChIInChI=1S/C6H7BrINS/c7-6-2-1-5(10-6)3-4-9-8/h1-2,9H,3-4H2
InChIKeyGMTHFKVKUJOIIJ-UHFFFAOYSA-N
MW332.00 g/mol
LogP2.99
Rot. Bonds3

About 2-(5-bromothiophen-2-yl)-N-iodoethanamine

2-(5-bromothiophen-2-yl)-N-iodoethanamine (PubChem CID 134427981) has the molecular formula C6H7BrINS and a molecular weight of 332.00 g/mol. Its IUPAC name is 2-(5-bromothiophen-2-yl)-N-iodoethanamine.

Molecular Properties

Compound Name2-(5-bromothiophen-2-yl)-N-iodoethanamine
PubChem CID134427981
Molecular FormulaC6H7BrINS
Molecular Weight332.00 g/mol
Exact Mass330.85
IUPAC Name2-(5-bromothiophen-2-yl)-N-iodoethanamine
SMILESBrc1ccc(CCNI)s1
InChIInChI=1S/C6H7BrINS/c7-6-2-1-5(10-6)3-4-9-8/h1-2,9H,3-4H2
InChIKeyGMTHFKVKUJOIIJ-UHFFFAOYSA-N
XLogP2.99
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.00
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(5-bromothiophen-2-yl)ethyl]formamide
CID 106043586
(2R)-1-[2-(5-bromothiophen-2-yl)ethylamino]propan-2-ol
CID 96666636
N-[2-(5-bromothiophen-2-yl)ethyl]-2-methylpentan-1-amine
CID 106043149
N'-[2-(5-bromothiophen-2-yl)ethyl]propane-1,3-diamine
CID 106042832
N-[2-(5-bromothiophen-2-yl)ethyl]-3-methylbutan-2-amine
CID 115712476
N-[2-(5-bromothiophen-2-yl)ethyl]but-3-en-1-amine
CID 106046795
2-(5-bromothiophen-2-yl)-N-[(4-chlorophenyl)methyl]ethanamine
CID 113227156
N-[2-(5-bromothiophen-2-yl)ethyl]-2-hydroxypropanamide
CID 115140909
2-(5-bromothiophen-2-yl)-N-(pyridin-4-ylmethyl)ethanamine;hydrochloride
CID 115593241
N-[2-(5-bromothiophen-2-yl)ethyl]pentan-2-amine
CID 115712481
1-(5-bromothiophen-2-yl)-N-[(5-bromothiophen-2-yl)methyl]methanamine
CID 61011766
5-bromo-4-N-[2-(5-bromothiophen-2-yl)ethyl]-6-N-methylpyrimidine-4,6-diamine
CID 106043160

Frequently Asked Questions

What is the IUPAC name of 2-(5-bromothiophen-2-yl)-N-iodoethanamine?
The IUPAC name of 2-(5-bromothiophen-2-yl)-N-iodoethanamine (CID 134427981) is 2-(5-bromothiophen-2-yl)-N-iodoethanamine.
What is the SMILES notation for 2-(5-bromothiophen-2-yl)-N-iodoethanamine?
The canonical SMILES for 2-(5-bromothiophen-2-yl)-N-iodoethanamine is Brc1ccc(CCNI)s1.
What is the InChIKey of 2-(5-bromothiophen-2-yl)-N-iodoethanamine?
The InChIKey is GMTHFKVKUJOIIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7BrINS/c7-6-2-1-5(10-6)3-4-9-8/h1-2,9H,3-4H2.
What are the key properties of 2-(5-bromothiophen-2-yl)-N-iodoethanamine?
2-(5-bromothiophen-2-yl)-N-iodoethanamine has a molecular weight of 332.00 g/mol, XLogP of 2.99, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-bromothiophen-2-yl)-N-iodoethanamine is sourced from PubChem (CID 134427981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).