1-[2-[2-(dimethylamino)ethyl]-1-benzothiophen-3-yl]-1-(5-fluoro-2-pyridinyl)ethanol

C19H21FN2OS — CID 11681714

IUPAC1-[2-[2-(dimethylamino)ethyl]-1-benzothiophen-3-yl]-1-(5-fluoro-2-pyridinyl)ethanol
SMILESCN(C)CCc1sc2ccccc2c1C(C)(O)c1ccc(F)cn1
InChIInChI=1S/C19H21FN2OS/c1-19(23,17-9-8-13(20)12-21-17)18-14-6-4-5-7-15(14)24-16(18)10-11-22(2)3/h4-9,12,23H,10-11H2,1-3H3
InChIKeyQZQAZRUZXFJXPH-UHFFFAOYSA-N
MW344.46 g/mol
LogP3.80
Rot. Bonds5

About 1-[2-[2-(dimethylamino)ethyl]-1-benzothiophen-3-yl]-1-(5-fluoro-2-pyridinyl)ethanol

1-[2-[2-(dimethylamino)ethyl]-1-benzothiophen-3-yl]-1-(5-fluoro-2-pyridinyl)ethanol (PubChem CID 11681714) has the molecular formula C19H21FN2OS and a molecular weight of 344.46 g/mol. Its IUPAC name is 1-[2-[2-(dimethylamino)ethyl]-1-benzothiophen-3-yl]-1-(5-fluoro-2-pyridinyl)ethanol.

Molecular Properties

Compound Name1-[2-[2-(dimethylamino)ethyl]-1-benzothiophen-3-yl]-1-(5-fluoro-2-pyridinyl)ethanol
PubChem CID11681714
Molecular FormulaC19H21FN2OS
Molecular Weight344.46 g/mol
Exact Mass344.14
IUPAC Name1-[2-[2-(dimethylamino)ethyl]-1-benzothiophen-3-yl]-1-(5-fluoro-2-pyridinyl)ethanol
SMILESCN(C)CCc1sc2ccccc2c1C(C)(O)c1ccc(F)cn1
InChIInChI=1S/C19H21FN2OS/c1-19(23,17-9-8-13(20)12-21-17)18-14-6-4-5-7-15(14)24-16(18)10-11-22(2)3/h4-9,12,23H,10-11H2,1-3H3
InChIKeyQZQAZRUZXFJXPH-UHFFFAOYSA-N
XLogP3.80
TPSA36.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.46
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[2-(dimethylamino)ethyl]-1-benzothiophen-3-yl]-1-(5-fluoro-2-pyridinyl)ethanol?
The IUPAC name of 1-[2-[2-(dimethylamino)ethyl]-1-benzothiophen-3-yl]-1-(5-fluoro-2-pyridinyl)ethanol (CID 11681714) is 1-[2-[2-(dimethylamino)ethyl]-1-benzothiophen-3-yl]-1-(5-fluoro-2-pyridinyl)ethanol.
What is the SMILES notation for 1-[2-[2-(dimethylamino)ethyl]-1-benzothiophen-3-yl]-1-(5-fluoro-2-pyridinyl)ethanol?
The canonical SMILES for 1-[2-[2-(dimethylamino)ethyl]-1-benzothiophen-3-yl]-1-(5-fluoro-2-pyridinyl)ethanol is CN(C)CCc1sc2ccccc2c1C(C)(O)c1ccc(F)cn1.
What is the InChIKey of 1-[2-[2-(dimethylamino)ethyl]-1-benzothiophen-3-yl]-1-(5-fluoro-2-pyridinyl)ethanol?
The InChIKey is QZQAZRUZXFJXPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21FN2OS/c1-19(23,17-9-8-13(20)12-21-17)18-14-6-4-5-7-15(14)24-16(18)10-11-22(2)3/h4-9,12,23H,10-11H2,1-3H3.
What are the key properties of 1-[2-[2-(dimethylamino)ethyl]-1-benzothiophen-3-yl]-1-(5-fluoro-2-pyridinyl)ethanol?
1-[2-[2-(dimethylamino)ethyl]-1-benzothiophen-3-yl]-1-(5-fluoro-2-pyridinyl)ethanol has a molecular weight of 344.46 g/mol, XLogP of 3.80, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[2-(dimethylamino)ethyl]-1-benzothiophen-3-yl]-1-(5-fluoro-2-pyridinyl)ethanol is sourced from PubChem (CID 11681714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).