2-(6-fluoro-5-methoxy-1-benzothiophen-3-yl)ethanamine

C11H12FNOS — CID 13238023

IUPAC2-(6-fluoro-5-methoxy-1-benzothiophen-3-yl)ethanamine
SMILESCOc1cc2c(CCN)csc2cc1F
InChIInChI=1S/C11H12FNOS/c1-14-10-4-8-7(2-3-13)6-15-11(8)5-9(10)12/h4-6H,2-3,13H2,1H3
InChIKeyVUUAJXBGBNSJER-UHFFFAOYSA-N
MW225.29 g/mol
LogP2.55
Rot. Bonds3

About 2-(6-fluoro-5-methoxy-1-benzothiophen-3-yl)ethanamine

2-(6-fluoro-5-methoxy-1-benzothiophen-3-yl)ethanamine (PubChem CID 13238023) has the molecular formula C11H12FNOS and a molecular weight of 225.29 g/mol. Its IUPAC name is 2-(6-fluoro-5-methoxy-1-benzothiophen-3-yl)ethanamine.

Molecular Properties

Compound Name2-(6-fluoro-5-methoxy-1-benzothiophen-3-yl)ethanamine
PubChem CID13238023
Molecular FormulaC11H12FNOS
Molecular Weight225.29 g/mol
Exact Mass225.06
IUPAC Name2-(6-fluoro-5-methoxy-1-benzothiophen-3-yl)ethanamine
SMILESCOc1cc2c(CCN)csc2cc1F
InChIInChI=1S/C11H12FNOS/c1-14-10-4-8-7(2-3-13)6-15-11(8)5-9(10)12/h4-6H,2-3,13H2,1H3
InChIKeyVUUAJXBGBNSJER-UHFFFAOYSA-N
XLogP2.55
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.29
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(6-fluoro-5-methoxy-1-benzothiophen-3-yl)ethanamine?
The IUPAC name of 2-(6-fluoro-5-methoxy-1-benzothiophen-3-yl)ethanamine (CID 13238023) is 2-(6-fluoro-5-methoxy-1-benzothiophen-3-yl)ethanamine.
What is the SMILES notation for 2-(6-fluoro-5-methoxy-1-benzothiophen-3-yl)ethanamine?
The canonical SMILES for 2-(6-fluoro-5-methoxy-1-benzothiophen-3-yl)ethanamine is COc1cc2c(CCN)csc2cc1F.
What is the InChIKey of 2-(6-fluoro-5-methoxy-1-benzothiophen-3-yl)ethanamine?
The InChIKey is VUUAJXBGBNSJER-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12FNOS/c1-14-10-4-8-7(2-3-13)6-15-11(8)5-9(10)12/h4-6H,2-3,13H2,1H3.
What are the key properties of 2-(6-fluoro-5-methoxy-1-benzothiophen-3-yl)ethanamine?
2-(6-fluoro-5-methoxy-1-benzothiophen-3-yl)ethanamine has a molecular weight of 225.29 g/mol, XLogP of 2.55, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-fluoro-5-methoxy-1-benzothiophen-3-yl)ethanamine is sourced from PubChem (CID 13238023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).