1-(3-ethyl-7-methoxy-1-benzothiophen-2-yl)-N-methylmethanamine

C13H17NOS — CID 104843379

IUPAC1-(3-ethyl-7-methoxy-1-benzothiophen-2-yl)-N-methylmethanamine
SMILESCCc1c(CNC)sc2c(OC)cccc12
InChIInChI=1S/C13H17NOS/c1-4-9-10-6-5-7-11(15-3)13(10)16-12(9)8-14-2/h5-7,14H,4,8H2,1-3H3
InChIKeyIOXVHSKWCBFZTR-UHFFFAOYSA-N
MW235.35 g/mol
LogP3.19
Rot. Bonds4

About 1-(3-ethyl-7-methoxy-1-benzothiophen-2-yl)-N-methylmethanamine

1-(3-ethyl-7-methoxy-1-benzothiophen-2-yl)-N-methylmethanamine (PubChem CID 104843379) has the molecular formula C13H17NOS and a molecular weight of 235.35 g/mol. Its IUPAC name is 1-(3-ethyl-7-methoxy-1-benzothiophen-2-yl)-N-methylmethanamine.

Molecular Properties

Compound Name1-(3-ethyl-7-methoxy-1-benzothiophen-2-yl)-N-methylmethanamine
PubChem CID104843379
Molecular FormulaC13H17NOS
Molecular Weight235.35 g/mol
Exact Mass235.10
IUPAC Name1-(3-ethyl-7-methoxy-1-benzothiophen-2-yl)-N-methylmethanamine
SMILESCCc1c(CNC)sc2c(OC)cccc12
InChIInChI=1S/C13H17NOS/c1-4-9-10-6-5-7-11(15-3)13(10)16-12(9)8-14-2/h5-7,14H,4,8H2,1-3H3
InChIKeyIOXVHSKWCBFZTR-UHFFFAOYSA-N
XLogP3.19
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.35
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(3-ethyl-7-methoxy-1-benzothiophen-2-yl)-N-methylmethanamine?
The IUPAC name of 1-(3-ethyl-7-methoxy-1-benzothiophen-2-yl)-N-methylmethanamine (CID 104843379) is 1-(3-ethyl-7-methoxy-1-benzothiophen-2-yl)-N-methylmethanamine.
What is the SMILES notation for 1-(3-ethyl-7-methoxy-1-benzothiophen-2-yl)-N-methylmethanamine?
The canonical SMILES for 1-(3-ethyl-7-methoxy-1-benzothiophen-2-yl)-N-methylmethanamine is CCc1c(CNC)sc2c(OC)cccc12.
What is the InChIKey of 1-(3-ethyl-7-methoxy-1-benzothiophen-2-yl)-N-methylmethanamine?
The InChIKey is IOXVHSKWCBFZTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NOS/c1-4-9-10-6-5-7-11(15-3)13(10)16-12(9)8-14-2/h5-7,14H,4,8H2,1-3H3.
What are the key properties of 1-(3-ethyl-7-methoxy-1-benzothiophen-2-yl)-N-methylmethanamine?
1-(3-ethyl-7-methoxy-1-benzothiophen-2-yl)-N-methylmethanamine has a molecular weight of 235.35 g/mol, XLogP of 3.19, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-ethyl-7-methoxy-1-benzothiophen-2-yl)-N-methylmethanamine is sourced from PubChem (CID 104843379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).