2-(2-bromophenyl)-2-(5-chlorothiophen-2-yl)ethanamine

C12H11BrClNS — CID 83987327

IUPAC2-(2-bromophenyl)-2-(5-chlorothiophen-2-yl)ethanamine
SMILESNCC(c1ccc(Cl)s1)c1ccccc1Br
InChIInChI=1S/C12H11BrClNS/c13-10-4-2-1-3-8(10)9(7-15)11-5-6-12(14)16-11/h1-6,9H,7,15H2
InChIKeyLXCUPNKQOMSVHV-UHFFFAOYSA-N
MW316.65 g/mol
LogP4.25
Rot. Bonds3

About 2-(2-bromophenyl)-2-(5-chlorothiophen-2-yl)ethanamine

2-(2-bromophenyl)-2-(5-chlorothiophen-2-yl)ethanamine (PubChem CID 83987327) has the molecular formula C12H11BrClNS and a molecular weight of 316.65 g/mol. Its IUPAC name is 2-(2-bromophenyl)-2-(5-chlorothiophen-2-yl)ethanamine.

Molecular Properties

Compound Name2-(2-bromophenyl)-2-(5-chlorothiophen-2-yl)ethanamine
PubChem CID83987327
Molecular FormulaC12H11BrClNS
Molecular Weight316.65 g/mol
Exact Mass314.95
IUPAC Name2-(2-bromophenyl)-2-(5-chlorothiophen-2-yl)ethanamine
SMILESNCC(c1ccc(Cl)s1)c1ccccc1Br
InChIInChI=1S/C12H11BrClNS/c13-10-4-2-1-3-8(10)9(7-15)11-5-6-12(14)16-11/h1-6,9H,7,15H2
InChIKeyLXCUPNKQOMSVHV-UHFFFAOYSA-N
XLogP4.25
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.65
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(2-bromophenyl)-2-(5-chlorothiophen-2-yl)ethanamine?
The IUPAC name of 2-(2-bromophenyl)-2-(5-chlorothiophen-2-yl)ethanamine (CID 83987327) is 2-(2-bromophenyl)-2-(5-chlorothiophen-2-yl)ethanamine.
What is the SMILES notation for 2-(2-bromophenyl)-2-(5-chlorothiophen-2-yl)ethanamine?
The canonical SMILES for 2-(2-bromophenyl)-2-(5-chlorothiophen-2-yl)ethanamine is NCC(c1ccc(Cl)s1)c1ccccc1Br.
What is the InChIKey of 2-(2-bromophenyl)-2-(5-chlorothiophen-2-yl)ethanamine?
The InChIKey is LXCUPNKQOMSVHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11BrClNS/c13-10-4-2-1-3-8(10)9(7-15)11-5-6-12(14)16-11/h1-6,9H,7,15H2.
What are the key properties of 2-(2-bromophenyl)-2-(5-chlorothiophen-2-yl)ethanamine?
2-(2-bromophenyl)-2-(5-chlorothiophen-2-yl)ethanamine has a molecular weight of 316.65 g/mol, XLogP of 4.25, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromophenyl)-2-(5-chlorothiophen-2-yl)ethanamine is sourced from PubChem (CID 83987327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).