1-(5-bromothiophen-2-yl)ethanamine;hydrochloride

C6H9BrClNS — CID 135377536

IUPAC1-(5-bromothiophen-2-yl)ethanamine;hydrochloride
SMILESCC(N)c1ccc(Br)s1.Cl
InChIInChI=1S/C6H8BrNS.ClH/c1-4(8)5-2-3-6(7)9-5;/h2-4H,8H2,1H3;1H
InChIKeyZGWRLJDOXYAZRI-UHFFFAOYSA-N
MW242.57 g/mol
LogP2.95
Rot. Bonds1

About 1-(5-bromothiophen-2-yl)ethanamine;hydrochloride

1-(5-bromothiophen-2-yl)ethanamine;hydrochloride (PubChem CID 135377536) has the molecular formula C6H9BrClNS and a molecular weight of 242.57 g/mol. Its IUPAC name is 1-(5-bromothiophen-2-yl)ethanamine;hydrochloride.

Molecular Properties

Compound Name1-(5-bromothiophen-2-yl)ethanamine;hydrochloride
PubChem CID135377536
Molecular FormulaC6H9BrClNS
Molecular Weight242.57 g/mol
Exact Mass240.93
IUPAC Name1-(5-bromothiophen-2-yl)ethanamine;hydrochloride
SMILESCC(N)c1ccc(Br)s1.Cl
InChIInChI=1S/C6H8BrNS.ClH/c1-4(8)5-2-3-6(7)9-5;/h2-4H,8H2,1H3;1H
InChIKeyZGWRLJDOXYAZRI-UHFFFAOYSA-N
XLogP2.95
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.57
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(5-bromothiophen-2-yl)ethanamine;hydrochloride?
The IUPAC name of 1-(5-bromothiophen-2-yl)ethanamine;hydrochloride (CID 135377536) is 1-(5-bromothiophen-2-yl)ethanamine;hydrochloride.
What is the SMILES notation for 1-(5-bromothiophen-2-yl)ethanamine;hydrochloride?
The canonical SMILES for 1-(5-bromothiophen-2-yl)ethanamine;hydrochloride is CC(N)c1ccc(Br)s1.Cl.
What is the InChIKey of 1-(5-bromothiophen-2-yl)ethanamine;hydrochloride?
The InChIKey is ZGWRLJDOXYAZRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8BrNS.ClH/c1-4(8)5-2-3-6(7)9-5;/h2-4H,8H2,1H3;1H.
What are the key properties of 1-(5-bromothiophen-2-yl)ethanamine;hydrochloride?
1-(5-bromothiophen-2-yl)ethanamine;hydrochloride has a molecular weight of 242.57 g/mol, XLogP of 2.95, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromothiophen-2-yl)ethanamine;hydrochloride is sourced from PubChem (CID 135377536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).