1-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-5-fluorophenyl]ethanamine

C15H17FN2S — CID 43188758

IUPAC1-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-5-fluorophenyl]ethanamine
SMILESCC(N)c1cc(F)ccc1N1CCc2sccc2C1
InChIInChI=1S/C15H17FN2S/c1-10(17)13-8-12(16)2-3-14(13)18-6-4-15-11(9-18)5-7-19-15/h2-3,5,7-8,10H,4,6,9,17H2,1H3
InChIKeyYPLBVTSJEKIVMG-UHFFFAOYSA-N
MW276.38 g/mol
LogP3.47
Rot. Bonds2

About 1-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-5-fluorophenyl]ethanamine

1-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-5-fluorophenyl]ethanamine (PubChem CID 43188758) has the molecular formula C15H17FN2S and a molecular weight of 276.38 g/mol. Its IUPAC name is 1-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-5-fluorophenyl]ethanamine.

Molecular Properties

Compound Name1-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-5-fluorophenyl]ethanamine
PubChem CID43188758
Molecular FormulaC15H17FN2S
Molecular Weight276.38 g/mol
Exact Mass276.11
IUPAC Name1-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-5-fluorophenyl]ethanamine
SMILESCC(N)c1cc(F)ccc1N1CCc2sccc2C1
InChIInChI=1S/C15H17FN2S/c1-10(17)13-8-12(16)2-3-14(13)18-6-4-15-11(9-18)5-7-19-15/h2-3,5,7-8,10H,4,6,9,17H2,1H3
InChIKeyYPLBVTSJEKIVMG-UHFFFAOYSA-N
XLogP3.47
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-5-fluorophenyl]ethanamine?
The IUPAC name of 1-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-5-fluorophenyl]ethanamine (CID 43188758) is 1-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-5-fluorophenyl]ethanamine.
What is the SMILES notation for 1-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-5-fluorophenyl]ethanamine?
The canonical SMILES for 1-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-5-fluorophenyl]ethanamine is CC(N)c1cc(F)ccc1N1CCc2sccc2C1.
What is the InChIKey of 1-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-5-fluorophenyl]ethanamine?
The InChIKey is YPLBVTSJEKIVMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17FN2S/c1-10(17)13-8-12(16)2-3-14(13)18-6-4-15-11(9-18)5-7-19-15/h2-3,5,7-8,10H,4,6,9,17H2,1H3.
What are the key properties of 1-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-5-fluorophenyl]ethanamine?
1-[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 3.47, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-5-fluorophenyl]ethanamine is sourced from PubChem (CID 43188758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).