2-ethoxy-N-methyl-N-(thieno[3,2-b]pyridin-6-ylmethyl)ethanamine

C13H18N2OS — CID 75483974

IUPAC2-ethoxy-N-methyl-N-(thieno[3,2-b]pyridin-6-ylmethyl)ethanamine
SMILESCCOCCN(C)Cc1cnc2ccsc2c1
InChIInChI=1S/C13H18N2OS/c1-3-16-6-5-15(2)10-11-8-13-12(14-9-11)4-7-17-13/h4,7-9H,3,5-6,10H2,1-2H3
InChIKeyXFNQFIDWRUQPLX-UHFFFAOYSA-N
MW250.37 g/mol
LogP2.76
Rot. Bonds6

About 2-ethoxy-N-methyl-N-(thieno[3,2-b]pyridin-6-ylmethyl)ethanamine

2-ethoxy-N-methyl-N-(thieno[3,2-b]pyridin-6-ylmethyl)ethanamine (PubChem CID 75483974) has the molecular formula C13H18N2OS and a molecular weight of 250.37 g/mol. Its IUPAC name is 2-ethoxy-N-methyl-N-(thieno[3,2-b]pyridin-6-ylmethyl)ethanamine.

Molecular Properties

Compound Name2-ethoxy-N-methyl-N-(thieno[3,2-b]pyridin-6-ylmethyl)ethanamine
PubChem CID75483974
Molecular FormulaC13H18N2OS
Molecular Weight250.37 g/mol
Exact Mass250.11
IUPAC Name2-ethoxy-N-methyl-N-(thieno[3,2-b]pyridin-6-ylmethyl)ethanamine
SMILESCCOCCN(C)Cc1cnc2ccsc2c1
InChIInChI=1S/C13H18N2OS/c1-3-16-6-5-15(2)10-11-8-13-12(14-9-11)4-7-17-13/h4,7-9H,3,5-6,10H2,1-2H3
InChIKeyXFNQFIDWRUQPLX-UHFFFAOYSA-N
XLogP2.76
TPSA25.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.37
LogP ≤ 52.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-N-methyl-N-(thieno[3,2-b]pyridin-6-ylmethyl)ethanamine?
The IUPAC name of 2-ethoxy-N-methyl-N-(thieno[3,2-b]pyridin-6-ylmethyl)ethanamine (CID 75483974) is 2-ethoxy-N-methyl-N-(thieno[3,2-b]pyridin-6-ylmethyl)ethanamine.
What is the SMILES notation for 2-ethoxy-N-methyl-N-(thieno[3,2-b]pyridin-6-ylmethyl)ethanamine?
The canonical SMILES for 2-ethoxy-N-methyl-N-(thieno[3,2-b]pyridin-6-ylmethyl)ethanamine is CCOCCN(C)Cc1cnc2ccsc2c1.
What is the InChIKey of 2-ethoxy-N-methyl-N-(thieno[3,2-b]pyridin-6-ylmethyl)ethanamine?
The InChIKey is XFNQFIDWRUQPLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2OS/c1-3-16-6-5-15(2)10-11-8-13-12(14-9-11)4-7-17-13/h4,7-9H,3,5-6,10H2,1-2H3.
What are the key properties of 2-ethoxy-N-methyl-N-(thieno[3,2-b]pyridin-6-ylmethyl)ethanamine?
2-ethoxy-N-methyl-N-(thieno[3,2-b]pyridin-6-ylmethyl)ethanamine has a molecular weight of 250.37 g/mol, XLogP of 2.76, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-N-methyl-N-(thieno[3,2-b]pyridin-6-ylmethyl)ethanamine is sourced from PubChem (CID 75483974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).