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

C16H19FN2S — CID 43284070

IUPAC1-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-5-fluorophenyl]-N-methylethanamine
SMILESCNC(C)c1cc(F)ccc1N1CCc2sccc2C1
InChIInChI=1S/C16H19FN2S/c1-11(18-2)14-9-13(17)3-4-15(14)19-7-5-16-12(10-19)6-8-20-16/h3-4,6,8-9,11,18H,5,7,10H2,1-2H3
InChIKeyVJUBTXZVUDEGAY-UHFFFAOYSA-N
MW290.41 g/mol
LogP3.73
Rot. Bonds3

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

1-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-5-fluorophenyl]-N-methylethanamine (PubChem CID 43284070) has the molecular formula C16H19FN2S and a molecular weight of 290.41 g/mol. Its IUPAC name is 1-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-5-fluorophenyl]-N-methylethanamine.

Molecular Properties

Compound Name1-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-5-fluorophenyl]-N-methylethanamine
PubChem CID43284070
Molecular FormulaC16H19FN2S
Molecular Weight290.41 g/mol
Exact Mass290.13
IUPAC Name1-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-5-fluorophenyl]-N-methylethanamine
SMILESCNC(C)c1cc(F)ccc1N1CCc2sccc2C1
InChIInChI=1S/C16H19FN2S/c1-11(18-2)14-9-13(17)3-4-15(14)19-7-5-16-12(10-19)6-8-20-16/h3-4,6,8-9,11,18H,5,7,10H2,1-2H3
InChIKeyVJUBTXZVUDEGAY-UHFFFAOYSA-N
XLogP3.73
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 53.73
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]-N-methylethanamine?
The IUPAC name of 1-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-5-fluorophenyl]-N-methylethanamine (CID 43284070) is 1-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-5-fluorophenyl]-N-methylethanamine.
What is the SMILES notation for 1-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-5-fluorophenyl]-N-methylethanamine?
The canonical SMILES for 1-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-5-fluorophenyl]-N-methylethanamine is CNC(C)c1cc(F)ccc1N1CCc2sccc2C1.
What is the InChIKey of 1-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-5-fluorophenyl]-N-methylethanamine?
The InChIKey is VJUBTXZVUDEGAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19FN2S/c1-11(18-2)14-9-13(17)3-4-15(14)19-7-5-16-12(10-19)6-8-20-16/h3-4,6,8-9,11,18H,5,7,10H2,1-2H3.
What are the key properties of 1-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-5-fluorophenyl]-N-methylethanamine?
1-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-5-fluorophenyl]-N-methylethanamine has a molecular weight of 290.41 g/mol, XLogP of 3.73, 3 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]-N-methylethanamine is sourced from PubChem (CID 43284070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).