2-[3-[1-(6-methoxy-2-pyridinyl)ethyl]-1-benzothiophen-2-yl]-N,N-dimethylethanamine

C20H24N2OS — CID 11530223

IUPAC2-[3-[1-(6-methoxy-2-pyridinyl)ethyl]-1-benzothiophen-2-yl]-N,N-dimethylethanamine
SMILESCOc1cccc(C(C)c2c(CCN(C)C)sc3ccccc23)n1
InChIInChI=1S/C20H24N2OS/c1-14(16-9-7-11-19(21-16)23-4)20-15-8-5-6-10-17(15)24-18(20)12-13-22(2)3/h5-11,14H,12-13H2,1-4H3
InChIKeyVVIWSBGDDVESJJ-UHFFFAOYSA-N
MW340.49 g/mol
LogP4.56
Rot. Bonds6

About 2-[3-[1-(6-methoxy-2-pyridinyl)ethyl]-1-benzothiophen-2-yl]-N,N-dimethylethanamine

2-[3-[1-(6-methoxy-2-pyridinyl)ethyl]-1-benzothiophen-2-yl]-N,N-dimethylethanamine (PubChem CID 11530223) has the molecular formula C20H24N2OS and a molecular weight of 340.49 g/mol. Its IUPAC name is 2-[3-[1-(6-methoxy-2-pyridinyl)ethyl]-1-benzothiophen-2-yl]-N,N-dimethylethanamine.

Molecular Properties

Compound Name2-[3-[1-(6-methoxy-2-pyridinyl)ethyl]-1-benzothiophen-2-yl]-N,N-dimethylethanamine
PubChem CID11530223
Molecular FormulaC20H24N2OS
Molecular Weight340.49 g/mol
Exact Mass340.16
IUPAC Name2-[3-[1-(6-methoxy-2-pyridinyl)ethyl]-1-benzothiophen-2-yl]-N,N-dimethylethanamine
SMILESCOc1cccc(C(C)c2c(CCN(C)C)sc3ccccc23)n1
InChIInChI=1S/C20H24N2OS/c1-14(16-9-7-11-19(21-16)23-4)20-15-8-5-6-10-17(15)24-18(20)12-13-22(2)3/h5-11,14H,12-13H2,1-4H3
InChIKeyVVIWSBGDDVESJJ-UHFFFAOYSA-N
XLogP4.56
TPSA25.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.49
LogP ≤ 54.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-Methoxy-4-(4-methylphenyl)-6-(2-thienyl)nicotinonitrile
CID 698201
(-)-(R)-2-(3-(1-(2-methoxypyridin-3-yl)ethyl)benzo[b]thiophen-2-yl)-N,N-dimethylethanamine
CID 11695811
rac-2-(3-(1-(6-methoxypyridin-3-yl)ethyl)benzo[b]thiophen-2-yl)-N,N-dimethylethanamine
CID 46884154
2-(4-Methoxyphenyl)-1-methyl-3-(2-thiophen-3-ylethynyl)indole
CID 24818819
2-[2-[5-Methoxy-2-(4-methoxyphenyl)benzothiophen-3-yl]ethynyl]pyridine
CID 44142497
2-Methoxy-5-[5-methoxy-2-(4-methoxyphenyl)-1-benzothiophen-3-yl]pyridine
CID 44202207
(+)-(R)-2-(3-(1-(3-methoxypyridin-2-yl)ethyl)benzo[b]thiophen-2-yl)-N,N-dimethylethanamine
CID 46884120
6-methoxy-2-(pyridin-3-ylmethyl)-3,4-dihydro-1H-[1]benzothiolo[2,3-c]pyridine
CID 137660689
2-[1-[1-[2-(4-Methoxyphenyl)ethyl]-4-piperidinyl]ethenyl]benzothiazole
CID 18930366
2-Methoxy-5-[5-methoxy-2-(2-methoxyphenyl)-1-benzothiophen-3-yl]pyridine
CID 44142401
4-[(E)-2-[2-(4-methoxyphenyl)-1-benzothiophen-3-yl]ethenyl]pyridine
CID 44202249
2-(1-Benzyl-5-methyl-1h-1,2,3-triazol-4-yl)-6-methoxy-4-(thiophen-2-yl)pyridine
CID 162657135

Frequently Asked Questions

What is the IUPAC name of 2-[3-[1-(6-methoxy-2-pyridinyl)ethyl]-1-benzothiophen-2-yl]-N,N-dimethylethanamine?
The IUPAC name of 2-[3-[1-(6-methoxy-2-pyridinyl)ethyl]-1-benzothiophen-2-yl]-N,N-dimethylethanamine (CID 11530223) is 2-[3-[1-(6-methoxy-2-pyridinyl)ethyl]-1-benzothiophen-2-yl]-N,N-dimethylethanamine.
What is the SMILES notation for 2-[3-[1-(6-methoxy-2-pyridinyl)ethyl]-1-benzothiophen-2-yl]-N,N-dimethylethanamine?
The canonical SMILES for 2-[3-[1-(6-methoxy-2-pyridinyl)ethyl]-1-benzothiophen-2-yl]-N,N-dimethylethanamine is COc1cccc(C(C)c2c(CCN(C)C)sc3ccccc23)n1.
What is the InChIKey of 2-[3-[1-(6-methoxy-2-pyridinyl)ethyl]-1-benzothiophen-2-yl]-N,N-dimethylethanamine?
The InChIKey is VVIWSBGDDVESJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2OS/c1-14(16-9-7-11-19(21-16)23-4)20-15-8-5-6-10-17(15)24-18(20)12-13-22(2)3/h5-11,14H,12-13H2,1-4H3.
What are the key properties of 2-[3-[1-(6-methoxy-2-pyridinyl)ethyl]-1-benzothiophen-2-yl]-N,N-dimethylethanamine?
2-[3-[1-(6-methoxy-2-pyridinyl)ethyl]-1-benzothiophen-2-yl]-N,N-dimethylethanamine has a molecular weight of 340.49 g/mol, XLogP of 4.56, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[1-(6-methoxy-2-pyridinyl)ethyl]-1-benzothiophen-2-yl]-N,N-dimethylethanamine is sourced from PubChem (CID 11530223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).