4-(6-methoxy-1-benzothiophen-2-yl)-N,N-dimethylaniline

C17H17NOS — CID 46947166

IUPAC4-(6-methoxy-1-benzothiophen-2-yl)-N,N-dimethylaniline
SMILESCOc1ccc2cc(-c3ccc(N(C)C)cc3)sc2c1
InChIInChI=1S/C17H17NOS/c1-18(2)14-7-4-12(5-8-14)16-10-13-6-9-15(19-3)11-17(13)20-16/h4-11H,1-3H3
InChIKeyXPKKIFICJLKAKA-UHFFFAOYSA-N
MW283.40 g/mol
LogP4.64
Rot. Bonds3

About 4-(6-methoxy-1-benzothiophen-2-yl)-N,N-dimethylaniline

4-(6-methoxy-1-benzothiophen-2-yl)-N,N-dimethylaniline (PubChem CID 46947166) has the molecular formula C17H17NOS and a molecular weight of 283.40 g/mol. Its IUPAC name is 4-(6-methoxy-1-benzothiophen-2-yl)-N,N-dimethylaniline.

Molecular Properties

Compound Name4-(6-methoxy-1-benzothiophen-2-yl)-N,N-dimethylaniline
PubChem CID46947166
Molecular FormulaC17H17NOS
Molecular Weight283.40 g/mol
Exact Mass283.10
IUPAC Name4-(6-methoxy-1-benzothiophen-2-yl)-N,N-dimethylaniline
SMILESCOc1ccc2cc(-c3ccc(N(C)C)cc3)sc2c1
InChIInChI=1S/C17H17NOS/c1-18(2)14-7-4-12(5-8-14)16-10-13-6-9-15(19-3)11-17(13)20-16/h4-11H,1-3H3
InChIKeyXPKKIFICJLKAKA-UHFFFAOYSA-N
XLogP4.64
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.40
LogP ≤ 54.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(6-methoxy-1-benzothiophen-2-yl)-N,N-dimethylaniline?
The IUPAC name of 4-(6-methoxy-1-benzothiophen-2-yl)-N,N-dimethylaniline (CID 46947166) is 4-(6-methoxy-1-benzothiophen-2-yl)-N,N-dimethylaniline.
What is the SMILES notation for 4-(6-methoxy-1-benzothiophen-2-yl)-N,N-dimethylaniline?
The canonical SMILES for 4-(6-methoxy-1-benzothiophen-2-yl)-N,N-dimethylaniline is COc1ccc2cc(-c3ccc(N(C)C)cc3)sc2c1.
What is the InChIKey of 4-(6-methoxy-1-benzothiophen-2-yl)-N,N-dimethylaniline?
The InChIKey is XPKKIFICJLKAKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17NOS/c1-18(2)14-7-4-12(5-8-14)16-10-13-6-9-15(19-3)11-17(13)20-16/h4-11H,1-3H3.
What are the key properties of 4-(6-methoxy-1-benzothiophen-2-yl)-N,N-dimethylaniline?
4-(6-methoxy-1-benzothiophen-2-yl)-N,N-dimethylaniline has a molecular weight of 283.40 g/mol, XLogP of 4.64, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(6-methoxy-1-benzothiophen-2-yl)-N,N-dimethylaniline is sourced from PubChem (CID 46947166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).