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

C20H24N2OS — CID 46884154

IUPAC2-[3-[1-(6-methoxy-3-pyridinyl)ethyl]-1-benzothiophen-2-yl]-N,N-dimethylethanamine
SMILESCOc1ccc(C(C)c2c(CCN(C)C)sc3ccccc23)cn1
InChIInChI=1S/C20H24N2OS/c1-14(15-9-10-19(23-4)21-13-15)20-16-7-5-6-8-17(16)24-18(20)11-12-22(2)3/h5-10,13-14H,11-12H2,1-4H3
InChIKeyBHMPPLVSPUZBNL-UHFFFAOYSA-N
MW340.49 g/mol
LogP4.56
Rot. Bonds6

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

2-[3-[1-(6-methoxy-3-pyridinyl)ethyl]-1-benzothiophen-2-yl]-N,N-dimethylethanamine (PubChem CID 46884154) has the molecular formula C20H24N2OS and a molecular weight of 340.49 g/mol. Its IUPAC name is 2-[3-[1-(6-methoxy-3-pyridinyl)ethyl]-1-benzothiophen-2-yl]-N,N-dimethylethanamine.

Molecular Properties

Compound Name2-[3-[1-(6-methoxy-3-pyridinyl)ethyl]-1-benzothiophen-2-yl]-N,N-dimethylethanamine
PubChem CID46884154
Molecular FormulaC20H24N2OS
Molecular Weight340.49 g/mol
Exact Mass340.16
IUPAC Name2-[3-[1-(6-methoxy-3-pyridinyl)ethyl]-1-benzothiophen-2-yl]-N,N-dimethylethanamine
SMILESCOc1ccc(C(C)c2c(CCN(C)C)sc3ccccc23)cn1
InChIInChI=1S/C20H24N2OS/c1-14(15-9-10-19(23-4)21-13-15)20-16-7-5-6-8-17(16)24-18(20)11-12-22(2)3/h5-10,13-14H,11-12H2,1-4H3
InChIKeyBHMPPLVSPUZBNL-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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Frequently Asked Questions

What is the IUPAC name of 2-[3-[1-(6-methoxy-3-pyridinyl)ethyl]-1-benzothiophen-2-yl]-N,N-dimethylethanamine?
The IUPAC name of 2-[3-[1-(6-methoxy-3-pyridinyl)ethyl]-1-benzothiophen-2-yl]-N,N-dimethylethanamine (CID 46884154) is 2-[3-[1-(6-methoxy-3-pyridinyl)ethyl]-1-benzothiophen-2-yl]-N,N-dimethylethanamine.
What is the SMILES notation for 2-[3-[1-(6-methoxy-3-pyridinyl)ethyl]-1-benzothiophen-2-yl]-N,N-dimethylethanamine?
The canonical SMILES for 2-[3-[1-(6-methoxy-3-pyridinyl)ethyl]-1-benzothiophen-2-yl]-N,N-dimethylethanamine is COc1ccc(C(C)c2c(CCN(C)C)sc3ccccc23)cn1.
What is the InChIKey of 2-[3-[1-(6-methoxy-3-pyridinyl)ethyl]-1-benzothiophen-2-yl]-N,N-dimethylethanamine?
The InChIKey is BHMPPLVSPUZBNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2OS/c1-14(15-9-10-19(23-4)21-13-15)20-16-7-5-6-8-17(16)24-18(20)11-12-22(2)3/h5-10,13-14H,11-12H2,1-4H3.
What are the key properties of 2-[3-[1-(6-methoxy-3-pyridinyl)ethyl]-1-benzothiophen-2-yl]-N,N-dimethylethanamine?
2-[3-[1-(6-methoxy-3-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-3-pyridinyl)ethyl]-1-benzothiophen-2-yl]-N,N-dimethylethanamine is sourced from PubChem (CID 46884154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).