2-(4-bromothiophen-2-yl)ethanamine;ethane

C8H14BrNS — CID 143155108

IUPAC2-(4-bromothiophen-2-yl)ethanamine;ethane
SMILESCC.NCCc1cc(Br)cs1
InChIInChI=1S/C6H8BrNS.C2H6/c7-5-3-6(1-2-8)9-4-5;1-2/h3-4H,1-2,8H2;1-2H3
InChIKeyFJSNNHKSVGJRKI-UHFFFAOYSA-N
MW236.18 g/mol
LogP3.04
Rot. Bonds2

About 2-(4-bromothiophen-2-yl)ethanamine;ethane

2-(4-bromothiophen-2-yl)ethanamine;ethane (PubChem CID 143155108) has the molecular formula C8H14BrNS and a molecular weight of 236.18 g/mol. Its IUPAC name is 2-(4-bromothiophen-2-yl)ethanamine;ethane.

Molecular Properties

Compound Name2-(4-bromothiophen-2-yl)ethanamine;ethane
PubChem CID143155108
Molecular FormulaC8H14BrNS
Molecular Weight236.18 g/mol
Exact Mass235.00
IUPAC Name2-(4-bromothiophen-2-yl)ethanamine;ethane
SMILESCC.NCCc1cc(Br)cs1
InChIInChI=1S/C6H8BrNS.C2H6/c7-5-3-6(1-2-8)9-4-5;1-2/h3-4H,1-2,8H2;1-2H3
InChIKeyFJSNNHKSVGJRKI-UHFFFAOYSA-N
XLogP3.04
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.18
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(4-bromothiophen-2-yl)ethanamine;ethane?
The IUPAC name of 2-(4-bromothiophen-2-yl)ethanamine;ethane (CID 143155108) is 2-(4-bromothiophen-2-yl)ethanamine;ethane.
What is the SMILES notation for 2-(4-bromothiophen-2-yl)ethanamine;ethane?
The canonical SMILES for 2-(4-bromothiophen-2-yl)ethanamine;ethane is CC.NCCc1cc(Br)cs1.
What is the InChIKey of 2-(4-bromothiophen-2-yl)ethanamine;ethane?
The InChIKey is FJSNNHKSVGJRKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8BrNS.C2H6/c7-5-3-6(1-2-8)9-4-5;1-2/h3-4H,1-2,8H2;1-2H3.
What are the key properties of 2-(4-bromothiophen-2-yl)ethanamine;ethane?
2-(4-bromothiophen-2-yl)ethanamine;ethane has a molecular weight of 236.18 g/mol, XLogP of 3.04, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromothiophen-2-yl)ethanamine;ethane is sourced from PubChem (CID 143155108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).