2-(5-bromothiophen-2-yl)ethanamine;hydrochloride

C6H9BrClNS — CID 13131559

IUPAC2-(5-bromothiophen-2-yl)ethanamine;hydrochloride
SMILESCl.NCCc1ccc(Br)s1
InChIInChI=1S/C6H8BrNS.ClH/c7-6-2-1-5(9-6)3-4-8;/h1-2H,3-4,8H2;1H
InChIKeyUQZYURSUTNERFP-UHFFFAOYSA-N
MW242.57 g/mol
LogP2.43
Rot. Bonds2

About 2-(5-bromothiophen-2-yl)ethanamine;hydrochloride

2-(5-bromothiophen-2-yl)ethanamine;hydrochloride (PubChem CID 13131559) has the molecular formula C6H9BrClNS and a molecular weight of 242.57 g/mol. Its IUPAC name is 2-(5-bromothiophen-2-yl)ethanamine;hydrochloride.

Molecular Properties

Compound Name2-(5-bromothiophen-2-yl)ethanamine;hydrochloride
PubChem CID13131559
Molecular FormulaC6H9BrClNS
Molecular Weight242.57 g/mol
Exact Mass240.93
IUPAC Name2-(5-bromothiophen-2-yl)ethanamine;hydrochloride
SMILESCl.NCCc1ccc(Br)s1
InChIInChI=1S/C6H8BrNS.ClH/c7-6-2-1-5(9-6)3-4-8;/h1-2H,3-4,8H2;1H
InChIKeyUQZYURSUTNERFP-UHFFFAOYSA-N
XLogP2.43
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.57
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(5-bromothiophen-2-yl)ethanamine;hydrochloride?
The IUPAC name of 2-(5-bromothiophen-2-yl)ethanamine;hydrochloride (CID 13131559) is 2-(5-bromothiophen-2-yl)ethanamine;hydrochloride.
What is the SMILES notation for 2-(5-bromothiophen-2-yl)ethanamine;hydrochloride?
The canonical SMILES for 2-(5-bromothiophen-2-yl)ethanamine;hydrochloride is Cl.NCCc1ccc(Br)s1.
What is the InChIKey of 2-(5-bromothiophen-2-yl)ethanamine;hydrochloride?
The InChIKey is UQZYURSUTNERFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8BrNS.ClH/c7-6-2-1-5(9-6)3-4-8;/h1-2H,3-4,8H2;1H.
What are the key properties of 2-(5-bromothiophen-2-yl)ethanamine;hydrochloride?
2-(5-bromothiophen-2-yl)ethanamine;hydrochloride has a molecular weight of 242.57 g/mol, XLogP of 2.43, 2 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)ethanamine;hydrochloride is sourced from PubChem (CID 13131559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).