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

C17H21FN2S — CID 43284064

IUPAC1-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-6-fluorophenyl]-N-ethylethanamine
SMILESCCNC(C)c1c(F)cccc1N1CCc2sccc2C1
InChIInChI=1S/C17H21FN2S/c1-3-19-12(2)17-14(18)5-4-6-15(17)20-9-7-16-13(11-20)8-10-21-16/h4-6,8,10,12,19H,3,7,9,11H2,1-2H3
InChIKeyUYIZVBBXALEOKV-UHFFFAOYSA-N
MW304.43 g/mol
LogP4.12
Rot. Bonds4

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

1-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-6-fluorophenyl]-N-ethylethanamine (PubChem CID 43284064) has the molecular formula C17H21FN2S and a molecular weight of 304.43 g/mol. Its IUPAC name is 1-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-6-fluorophenyl]-N-ethylethanamine.

Molecular Properties

Compound Name1-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-6-fluorophenyl]-N-ethylethanamine
PubChem CID43284064
Molecular FormulaC17H21FN2S
Molecular Weight304.43 g/mol
Exact Mass304.14
IUPAC Name1-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-6-fluorophenyl]-N-ethylethanamine
SMILESCCNC(C)c1c(F)cccc1N1CCc2sccc2C1
InChIInChI=1S/C17H21FN2S/c1-3-19-12(2)17-14(18)5-4-6-15(17)20-9-7-16-13(11-20)8-10-21-16/h4-6,8,10,12,19H,3,7,9,11H2,1-2H3
InChIKeyUYIZVBBXALEOKV-UHFFFAOYSA-N
XLogP4.12
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.43
LogP ≤ 54.12
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)-6-fluorophenyl]-N-ethylethanamine?
The IUPAC name of 1-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-6-fluorophenyl]-N-ethylethanamine (CID 43284064) is 1-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-6-fluorophenyl]-N-ethylethanamine.
What is the SMILES notation for 1-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-6-fluorophenyl]-N-ethylethanamine?
The canonical SMILES for 1-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-6-fluorophenyl]-N-ethylethanamine is CCNC(C)c1c(F)cccc1N1CCc2sccc2C1.
What is the InChIKey of 1-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-6-fluorophenyl]-N-ethylethanamine?
The InChIKey is UYIZVBBXALEOKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21FN2S/c1-3-19-12(2)17-14(18)5-4-6-15(17)20-9-7-16-13(11-20)8-10-21-16/h4-6,8,10,12,19H,3,7,9,11H2,1-2H3.
What are the key properties of 1-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-6-fluorophenyl]-N-ethylethanamine?
1-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-6-fluorophenyl]-N-ethylethanamine has a molecular weight of 304.43 g/mol, XLogP of 4.12, 4 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)-6-fluorophenyl]-N-ethylethanamine is sourced from PubChem (CID 43284064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).