1-(4-methoxy-2,3-dihydro-1-benzothiophen-3-yl)-N-methylmethanamine

C11H15NOS — CID 117200321

IUPAC1-(4-methoxy-2,3-dihydro-1-benzothiophen-3-yl)-N-methylmethanamine
SMILESCNCC1CSc2cccc(OC)c21
InChIInChI=1S/C11H15NOS/c1-12-6-8-7-14-10-5-3-4-9(13-2)11(8)10/h3-5,8,12H,6-7H2,1-2H3
InChIKeyXXXQGBYRGNZFFK-UHFFFAOYSA-N
MW209.31 g/mol
LogP2.10
Rot. Bonds3

About 1-(4-methoxy-2,3-dihydro-1-benzothiophen-3-yl)-N-methylmethanamine

1-(4-methoxy-2,3-dihydro-1-benzothiophen-3-yl)-N-methylmethanamine (PubChem CID 117200321) has the molecular formula C11H15NOS and a molecular weight of 209.31 g/mol. Its IUPAC name is 1-(4-methoxy-2,3-dihydro-1-benzothiophen-3-yl)-N-methylmethanamine.

Molecular Properties

Compound Name1-(4-methoxy-2,3-dihydro-1-benzothiophen-3-yl)-N-methylmethanamine
PubChem CID117200321
Molecular FormulaC11H15NOS
Molecular Weight209.31 g/mol
Exact Mass209.09
IUPAC Name1-(4-methoxy-2,3-dihydro-1-benzothiophen-3-yl)-N-methylmethanamine
SMILESCNCC1CSc2cccc(OC)c21
InChIInChI=1S/C11H15NOS/c1-12-6-8-7-14-10-5-3-4-9(13-2)11(8)10/h3-5,8,12H,6-7H2,1-2H3
InChIKeyXXXQGBYRGNZFFK-UHFFFAOYSA-N
XLogP2.10
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.31
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxy-2,3-dihydro-1-benzothiophen-3-yl)-N-methylmethanamine?
The IUPAC name of 1-(4-methoxy-2,3-dihydro-1-benzothiophen-3-yl)-N-methylmethanamine (CID 117200321) is 1-(4-methoxy-2,3-dihydro-1-benzothiophen-3-yl)-N-methylmethanamine.
What is the SMILES notation for 1-(4-methoxy-2,3-dihydro-1-benzothiophen-3-yl)-N-methylmethanamine?
The canonical SMILES for 1-(4-methoxy-2,3-dihydro-1-benzothiophen-3-yl)-N-methylmethanamine is CNCC1CSc2cccc(OC)c21.
What is the InChIKey of 1-(4-methoxy-2,3-dihydro-1-benzothiophen-3-yl)-N-methylmethanamine?
The InChIKey is XXXQGBYRGNZFFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NOS/c1-12-6-8-7-14-10-5-3-4-9(13-2)11(8)10/h3-5,8,12H,6-7H2,1-2H3.
What are the key properties of 1-(4-methoxy-2,3-dihydro-1-benzothiophen-3-yl)-N-methylmethanamine?
1-(4-methoxy-2,3-dihydro-1-benzothiophen-3-yl)-N-methylmethanamine has a molecular weight of 209.31 g/mol, XLogP of 2.10, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxy-2,3-dihydro-1-benzothiophen-3-yl)-N-methylmethanamine is sourced from PubChem (CID 117200321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).