1-(3-bromothiophen-2-yl)-2-(2-chloro-6-fluorophenyl)ethanamine

C12H10BrClFNS — CID 55238968

IUPAC1-(3-bromothiophen-2-yl)-2-(2-chloro-6-fluorophenyl)ethanamine
SMILESNC(Cc1c(F)cccc1Cl)c1sccc1Br
InChIInChI=1S/C12H10BrClFNS/c13-8-4-5-17-12(8)11(16)6-7-9(14)2-1-3-10(7)15/h1-5,11H,6,16H2
InChIKeyJLHDYAIGXQRFQV-UHFFFAOYSA-N
MW334.64 g/mol
LogP4.55
Rot. Bonds3

About 1-(3-bromothiophen-2-yl)-2-(2-chloro-6-fluorophenyl)ethanamine

1-(3-bromothiophen-2-yl)-2-(2-chloro-6-fluorophenyl)ethanamine (PubChem CID 55238968) has the molecular formula C12H10BrClFNS and a molecular weight of 334.64 g/mol. Its IUPAC name is 1-(3-bromothiophen-2-yl)-2-(2-chloro-6-fluorophenyl)ethanamine.

Molecular Properties

Compound Name1-(3-bromothiophen-2-yl)-2-(2-chloro-6-fluorophenyl)ethanamine
PubChem CID55238968
Molecular FormulaC12H10BrClFNS
Molecular Weight334.64 g/mol
Exact Mass332.94
IUPAC Name1-(3-bromothiophen-2-yl)-2-(2-chloro-6-fluorophenyl)ethanamine
SMILESNC(Cc1c(F)cccc1Cl)c1sccc1Br
InChIInChI=1S/C12H10BrClFNS/c13-8-4-5-17-12(8)11(16)6-7-9(14)2-1-3-10(7)15/h1-5,11H,6,16H2
InChIKeyJLHDYAIGXQRFQV-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 1-(3-bromothiophen-2-yl)-2-(2-chloro-6-fluorophenyl)ethanamine?
The IUPAC name of 1-(3-bromothiophen-2-yl)-2-(2-chloro-6-fluorophenyl)ethanamine (CID 55238968) is 1-(3-bromothiophen-2-yl)-2-(2-chloro-6-fluorophenyl)ethanamine.
What is the SMILES notation for 1-(3-bromothiophen-2-yl)-2-(2-chloro-6-fluorophenyl)ethanamine?
The canonical SMILES for 1-(3-bromothiophen-2-yl)-2-(2-chloro-6-fluorophenyl)ethanamine is NC(Cc1c(F)cccc1Cl)c1sccc1Br.
What is the InChIKey of 1-(3-bromothiophen-2-yl)-2-(2-chloro-6-fluorophenyl)ethanamine?
The InChIKey is JLHDYAIGXQRFQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10BrClFNS/c13-8-4-5-17-12(8)11(16)6-7-9(14)2-1-3-10(7)15/h1-5,11H,6,16H2.
What are the key properties of 1-(3-bromothiophen-2-yl)-2-(2-chloro-6-fluorophenyl)ethanamine?
1-(3-bromothiophen-2-yl)-2-(2-chloro-6-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 1-(3-bromothiophen-2-yl)-2-(2-chloro-6-fluorophenyl)ethanamine is sourced from PubChem (CID 55238968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).