1-(1-benzothiophen-2-yl)-N-methylmethanamine

C10H11NS — CID 693141

IUPAC1-(1-benzothiophen-2-yl)-N-methylmethanamine
SMILESCNCc1cc2ccccc2s1
InChIInChI=1S/C10H11NS/c1-11-7-9-6-8-4-2-3-5-10(8)12-9/h2-6,11H,7H2,1H3
InChIKeyFKHVKIIMXLUFHI-UHFFFAOYSA-N
MW177.27 g/mol
LogP2.62
Rot. Bonds2

About 1-(1-benzothiophen-2-yl)-N-methylmethanamine

1-(1-benzothiophen-2-yl)-N-methylmethanamine (PubChem CID 693141) has the molecular formula C10H11NS and a molecular weight of 177.27 g/mol. Its IUPAC name is 1-(1-benzothiophen-2-yl)-N-methylmethanamine.

Molecular Properties

Compound Name1-(1-benzothiophen-2-yl)-N-methylmethanamine
PubChem CID693141
Molecular FormulaC10H11NS
Molecular Weight177.27 g/mol
Exact Mass177.06
IUPAC Name1-(1-benzothiophen-2-yl)-N-methylmethanamine
SMILESCNCc1cc2ccccc2s1
InChIInChI=1S/C10H11NS/c1-11-7-9-6-8-4-2-3-5-10(8)12-9/h2-6,11H,7H2,1H3
InChIKeyFKHVKIIMXLUFHI-UHFFFAOYSA-N
XLogP2.62
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.27
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(1-benzothiophen-2-yl)-N-methylmethanamine?
The IUPAC name of 1-(1-benzothiophen-2-yl)-N-methylmethanamine (CID 693141) is 1-(1-benzothiophen-2-yl)-N-methylmethanamine.
What is the SMILES notation for 1-(1-benzothiophen-2-yl)-N-methylmethanamine?
The canonical SMILES for 1-(1-benzothiophen-2-yl)-N-methylmethanamine is CNCc1cc2ccccc2s1.
What is the InChIKey of 1-(1-benzothiophen-2-yl)-N-methylmethanamine?
The InChIKey is FKHVKIIMXLUFHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11NS/c1-11-7-9-6-8-4-2-3-5-10(8)12-9/h2-6,11H,7H2,1H3.
What are the key properties of 1-(1-benzothiophen-2-yl)-N-methylmethanamine?
1-(1-benzothiophen-2-yl)-N-methylmethanamine has a molecular weight of 177.27 g/mol, XLogP of 2.62, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-benzothiophen-2-yl)-N-methylmethanamine is sourced from PubChem (CID 693141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).