2-(2-bromo-5-fluoro-7-methyl-1-benzothiophen-3-yl)ethanamine

C11H11BrFNS — CID 135380628

IUPAC2-(2-bromo-5-fluoro-7-methyl-1-benzothiophen-3-yl)ethanamine
SMILESCc1cc(F)cc2c(CCN)c(Br)sc12
InChIInChI=1S/C11H11BrFNS/c1-6-4-7(13)5-9-8(2-3-14)11(12)15-10(6)9/h4-5H,2-3,14H2,1H3
InChIKeyFQFBQBGJGRAOSY-UHFFFAOYSA-N
MW288.19 g/mol
LogP3.61
Rot. Bonds2

About 2-(2-bromo-5-fluoro-7-methyl-1-benzothiophen-3-yl)ethanamine

2-(2-bromo-5-fluoro-7-methyl-1-benzothiophen-3-yl)ethanamine (PubChem CID 135380628) has the molecular formula C11H11BrFNS and a molecular weight of 288.19 g/mol. Its IUPAC name is 2-(2-bromo-5-fluoro-7-methyl-1-benzothiophen-3-yl)ethanamine.

Molecular Properties

Compound Name2-(2-bromo-5-fluoro-7-methyl-1-benzothiophen-3-yl)ethanamine
PubChem CID135380628
Molecular FormulaC11H11BrFNS
Molecular Weight288.19 g/mol
Exact Mass286.98
IUPAC Name2-(2-bromo-5-fluoro-7-methyl-1-benzothiophen-3-yl)ethanamine
SMILESCc1cc(F)cc2c(CCN)c(Br)sc12
InChIInChI=1S/C11H11BrFNS/c1-6-4-7(13)5-9-8(2-3-14)11(12)15-10(6)9/h4-5H,2-3,14H2,1H3
InChIKeyFQFBQBGJGRAOSY-UHFFFAOYSA-N
XLogP3.61
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.19
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(2-bromo-5-fluoro-7-methyl-1-benzothiophen-3-yl)ethanamine?
The IUPAC name of 2-(2-bromo-5-fluoro-7-methyl-1-benzothiophen-3-yl)ethanamine (CID 135380628) is 2-(2-bromo-5-fluoro-7-methyl-1-benzothiophen-3-yl)ethanamine.
What is the SMILES notation for 2-(2-bromo-5-fluoro-7-methyl-1-benzothiophen-3-yl)ethanamine?
The canonical SMILES for 2-(2-bromo-5-fluoro-7-methyl-1-benzothiophen-3-yl)ethanamine is Cc1cc(F)cc2c(CCN)c(Br)sc12.
What is the InChIKey of 2-(2-bromo-5-fluoro-7-methyl-1-benzothiophen-3-yl)ethanamine?
The InChIKey is FQFBQBGJGRAOSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11BrFNS/c1-6-4-7(13)5-9-8(2-3-14)11(12)15-10(6)9/h4-5H,2-3,14H2,1H3.
What are the key properties of 2-(2-bromo-5-fluoro-7-methyl-1-benzothiophen-3-yl)ethanamine?
2-(2-bromo-5-fluoro-7-methyl-1-benzothiophen-3-yl)ethanamine has a molecular weight of 288.19 g/mol, XLogP of 3.61, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromo-5-fluoro-7-methyl-1-benzothiophen-3-yl)ethanamine is sourced from PubChem (CID 135380628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).