4-methoxy-N,N-dimethyl-1-benzothiophen-2-amine

C11H13NOS — CID 10679849

IUPAC4-methoxy-N,N-dimethyl-1-benzothiophen-2-amine
SMILESCOc1cccc2sc(N(C)C)cc12
InChIInChI=1S/C11H13NOS/c1-12(2)11-7-8-9(13-3)5-4-6-10(8)14-11/h4-7H,1-3H3
InChIKeyNSYQGJRELAERNQ-UHFFFAOYSA-N
MW207.30 g/mol
LogP2.98
Rot. Bonds2

About 4-methoxy-N,N-dimethyl-1-benzothiophen-2-amine

4-methoxy-N,N-dimethyl-1-benzothiophen-2-amine (PubChem CID 10679849) has the molecular formula C11H13NOS and a molecular weight of 207.30 g/mol. Its IUPAC name is 4-methoxy-N,N-dimethyl-1-benzothiophen-2-amine.

Molecular Properties

Compound Name4-methoxy-N,N-dimethyl-1-benzothiophen-2-amine
PubChem CID10679849
Molecular FormulaC11H13NOS
Molecular Weight207.30 g/mol
Exact Mass207.07
IUPAC Name4-methoxy-N,N-dimethyl-1-benzothiophen-2-amine
SMILESCOc1cccc2sc(N(C)C)cc12
InChIInChI=1S/C11H13NOS/c1-12(2)11-7-8-9(13-3)5-4-6-10(8)14-11/h4-7H,1-3H3
InChIKeyNSYQGJRELAERNQ-UHFFFAOYSA-N
XLogP2.98
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.30
LogP ≤ 52.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N,N-dimethyl-1-benzothiophen-2-amine?
The IUPAC name of 4-methoxy-N,N-dimethyl-1-benzothiophen-2-amine (CID 10679849) is 4-methoxy-N,N-dimethyl-1-benzothiophen-2-amine.
What is the SMILES notation for 4-methoxy-N,N-dimethyl-1-benzothiophen-2-amine?
The canonical SMILES for 4-methoxy-N,N-dimethyl-1-benzothiophen-2-amine is COc1cccc2sc(N(C)C)cc12.
What is the InChIKey of 4-methoxy-N,N-dimethyl-1-benzothiophen-2-amine?
The InChIKey is NSYQGJRELAERNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NOS/c1-12(2)11-7-8-9(13-3)5-4-6-10(8)14-11/h4-7H,1-3H3.
What are the key properties of 4-methoxy-N,N-dimethyl-1-benzothiophen-2-amine?
4-methoxy-N,N-dimethyl-1-benzothiophen-2-amine has a molecular weight of 207.30 g/mol, XLogP of 2.98, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N,N-dimethyl-1-benzothiophen-2-amine is sourced from PubChem (CID 10679849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).