1-(5-bromothiophen-2-yl)-2-(2-chloro-6-fluorophenyl)ethanamine

C12H10BrClFNS — CID 61078299

IUPAC1-(5-bromothiophen-2-yl)-2-(2-chloro-6-fluorophenyl)ethanamine
SMILESNC(Cc1c(F)cccc1Cl)c1ccc(Br)s1
InChIInChI=1S/C12H10BrClFNS/c13-12-5-4-11(17-12)10(16)6-7-8(14)2-1-3-9(7)15/h1-5,10H,6,16H2
InChIKeyKHMDFLQTUXARED-UHFFFAOYSA-N
MW334.64 g/mol
LogP4.55
Rot. Bonds3

About 1-(5-bromothiophen-2-yl)-2-(2-chloro-6-fluorophenyl)ethanamine

1-(5-bromothiophen-2-yl)-2-(2-chloro-6-fluorophenyl)ethanamine (PubChem CID 61078299) has the molecular formula C12H10BrClFNS and a molecular weight of 334.64 g/mol. Its IUPAC name is 1-(5-bromothiophen-2-yl)-2-(2-chloro-6-fluorophenyl)ethanamine.

Molecular Properties

Compound Name1-(5-bromothiophen-2-yl)-2-(2-chloro-6-fluorophenyl)ethanamine
PubChem CID61078299
Molecular FormulaC12H10BrClFNS
Molecular Weight334.64 g/mol
Exact Mass332.94
IUPAC Name1-(5-bromothiophen-2-yl)-2-(2-chloro-6-fluorophenyl)ethanamine
SMILESNC(Cc1c(F)cccc1Cl)c1ccc(Br)s1
InChIInChI=1S/C12H10BrClFNS/c13-12-5-4-11(17-12)10(16)6-7-8(14)2-1-3-9(7)15/h1-5,10H,6,16H2
InChIKeyKHMDFLQTUXARED-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

Analyze 1-(5-bromothiophen-2-yl)-2-(2-chloro-6-fluorophenyl)ethanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(5-bromothiophen-2-yl)-2-(2-chloro-6-fluorophenyl)ethanamine?
The IUPAC name of 1-(5-bromothiophen-2-yl)-2-(2-chloro-6-fluorophenyl)ethanamine (CID 61078299) is 1-(5-bromothiophen-2-yl)-2-(2-chloro-6-fluorophenyl)ethanamine.
What is the SMILES notation for 1-(5-bromothiophen-2-yl)-2-(2-chloro-6-fluorophenyl)ethanamine?
The canonical SMILES for 1-(5-bromothiophen-2-yl)-2-(2-chloro-6-fluorophenyl)ethanamine is NC(Cc1c(F)cccc1Cl)c1ccc(Br)s1.
What is the InChIKey of 1-(5-bromothiophen-2-yl)-2-(2-chloro-6-fluorophenyl)ethanamine?
The InChIKey is KHMDFLQTUXARED-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10BrClFNS/c13-12-5-4-11(17-12)10(16)6-7-8(14)2-1-3-9(7)15/h1-5,10H,6,16H2.
What are the key properties of 1-(5-bromothiophen-2-yl)-2-(2-chloro-6-fluorophenyl)ethanamine?
1-(5-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-(5-bromothiophen-2-yl)-2-(2-chloro-6-fluorophenyl)ethanamine is sourced from PubChem (CID 61078299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).