2-(3-bromothiophen-2-yl)-1-(4-chloro-2-fluorophenyl)ethanamine

C12H10BrClFNS — CID 55182513

IUPAC2-(3-bromothiophen-2-yl)-1-(4-chloro-2-fluorophenyl)ethanamine
SMILESNC(Cc1sccc1Br)c1ccc(Cl)cc1F
InChIInChI=1S/C12H10BrClFNS/c13-9-3-4-17-12(9)6-11(16)8-2-1-7(14)5-10(8)15/h1-5,11H,6,16H2
InChIKeyBAMUOLHAIQCEFS-UHFFFAOYSA-N
MW334.64 g/mol
LogP4.55
Rot. Bonds3

About 2-(3-bromothiophen-2-yl)-1-(4-chloro-2-fluorophenyl)ethanamine

2-(3-bromothiophen-2-yl)-1-(4-chloro-2-fluorophenyl)ethanamine (PubChem CID 55182513) has the molecular formula C12H10BrClFNS and a molecular weight of 334.64 g/mol. Its IUPAC name is 2-(3-bromothiophen-2-yl)-1-(4-chloro-2-fluorophenyl)ethanamine.

Molecular Properties

Compound Name2-(3-bromothiophen-2-yl)-1-(4-chloro-2-fluorophenyl)ethanamine
PubChem CID55182513
Molecular FormulaC12H10BrClFNS
Molecular Weight334.64 g/mol
Exact Mass332.94
IUPAC Name2-(3-bromothiophen-2-yl)-1-(4-chloro-2-fluorophenyl)ethanamine
SMILESNC(Cc1sccc1Br)c1ccc(Cl)cc1F
InChIInChI=1S/C12H10BrClFNS/c13-9-3-4-17-12(9)6-11(16)8-2-1-7(14)5-10(8)15/h1-5,11H,6,16H2
InChIKeyBAMUOLHAIQCEFS-UHFFFAOYSA-N
XLogP4.55
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.64
LogP ≤ 54.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(3-bromothiophen-2-yl)-1-(4-chloro-2-fluorophenyl)ethanamine?
The IUPAC name of 2-(3-bromothiophen-2-yl)-1-(4-chloro-2-fluorophenyl)ethanamine (CID 55182513) is 2-(3-bromothiophen-2-yl)-1-(4-chloro-2-fluorophenyl)ethanamine.
What is the SMILES notation for 2-(3-bromothiophen-2-yl)-1-(4-chloro-2-fluorophenyl)ethanamine?
The canonical SMILES for 2-(3-bromothiophen-2-yl)-1-(4-chloro-2-fluorophenyl)ethanamine is NC(Cc1sccc1Br)c1ccc(Cl)cc1F.
What is the InChIKey of 2-(3-bromothiophen-2-yl)-1-(4-chloro-2-fluorophenyl)ethanamine?
The InChIKey is BAMUOLHAIQCEFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10BrClFNS/c13-9-3-4-17-12(9)6-11(16)8-2-1-7(14)5-10(8)15/h1-5,11H,6,16H2.
What are the key properties of 2-(3-bromothiophen-2-yl)-1-(4-chloro-2-fluorophenyl)ethanamine?
2-(3-bromothiophen-2-yl)-1-(4-chloro-2-fluorophenyl)ethanamine has a molecular weight of 334.64 g/mol, XLogP of 4.55, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromothiophen-2-yl)-1-(4-chloro-2-fluorophenyl)ethanamine is sourced from PubChem (CID 55182513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).