2-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-5-fluorophenyl]ethanamine

C15H17FN2S — CID 55237151

IUPAC2-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-5-fluorophenyl]ethanamine
SMILESNCCc1cc(F)ccc1N1CCc2sccc2C1
InChIInChI=1S/C15H17FN2S/c16-13-1-2-14(11(9-13)3-6-17)18-7-4-15-12(10-18)5-8-19-15/h1-2,5,8-9H,3-4,6-7,10,17H2
InChIKeyAYSAWIXFORVNQW-UHFFFAOYSA-N
MW276.38 g/mol
LogP2.95
Rot. Bonds3

About 2-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-5-fluorophenyl]ethanamine

2-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-5-fluorophenyl]ethanamine (PubChem CID 55237151) has the molecular formula C15H17FN2S and a molecular weight of 276.38 g/mol. Its IUPAC name is 2-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-5-fluorophenyl]ethanamine.

Molecular Properties

Compound Name2-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-5-fluorophenyl]ethanamine
PubChem CID55237151
Molecular FormulaC15H17FN2S
Molecular Weight276.38 g/mol
Exact Mass276.11
IUPAC Name2-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-5-fluorophenyl]ethanamine
SMILESNCCc1cc(F)ccc1N1CCc2sccc2C1
InChIInChI=1S/C15H17FN2S/c16-13-1-2-14(11(9-13)3-6-17)18-7-4-15-12(10-18)5-8-19-15/h1-2,5,8-9H,3-4,6-7,10,17H2
InChIKeyAYSAWIXFORVNQW-UHFFFAOYSA-N
XLogP2.95
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-5-fluorophenyl]ethanamine?
The IUPAC name of 2-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-5-fluorophenyl]ethanamine (CID 55237151) is 2-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-5-fluorophenyl]ethanamine.
What is the SMILES notation for 2-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-5-fluorophenyl]ethanamine?
The canonical SMILES for 2-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-5-fluorophenyl]ethanamine is NCCc1cc(F)ccc1N1CCc2sccc2C1.
What is the InChIKey of 2-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-5-fluorophenyl]ethanamine?
The InChIKey is AYSAWIXFORVNQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17FN2S/c16-13-1-2-14(11(9-13)3-6-17)18-7-4-15-12(10-18)5-8-19-15/h1-2,5,8-9H,3-4,6-7,10,17H2.
What are the key properties of 2-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-5-fluorophenyl]ethanamine?
2-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-5-fluorophenyl]ethanamine has a molecular weight of 276.38 g/mol, XLogP of 2.95, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-5-fluorophenyl]ethanamine is sourced from PubChem (CID 55237151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).