4-ethyl-5-[[4-methoxy-3-(2-methoxyethoxy)phenyl]methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine;hydrochloride

C20H28ClNO3S — CID 171667594

About 4-ethyl-5-[[4-methoxy-3-(2-methoxyethoxy)phenyl]methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine;hydrochloride

4-ethyl-5-[[4-methoxy-3-(2-methoxyethoxy)phenyl]methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine;hydrochloride (PubChem CID 171667594) has the molecular formula C20H28ClNO3S and a molecular weight of 397.97 g/mol. Its IUPAC name is 4-ethyl-5-[[4-methoxy-3-(2-methoxyethoxy)phenyl]methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine;hydrochloride.

Molecular Properties

• Compound Name: 4-ethyl-5-[[4-methoxy-3-(2-methoxyethoxy)phenyl]methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine;hydrochloride
• PubChem CID: 171667594
• Molecular Formula: C20H28ClNO3S
• Molecular Weight: 397.97 g/mol
• Exact Mass: 397.15
• IUPAC Name: 4-ethyl-5-[[4-methoxy-3-(2-methoxyethoxy)phenyl]methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine;hydrochloride
• SMILES: CCC1c2ccsc2CCN1Cc1ccc(OC)c(OCCOC)c1.Cl
• InChI: InChI=1S/C20H27NO3S.ClH/c1-4-17-16-8-12-25-20(16)7-9-21(17)14-15-5-6-18(23-3)19(13-15)24-11-10-22-2;/h5-6,8,12-13,17H,4,7,9-11,14H2,1-3H3;1H
• InChIKey: BSCRATYHRYXBNB-UHFFFAOYSA-N
• XLogP: 4.71
• TPSA: 30.93 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 8
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	397.97
LogP ≤ 5	4.71
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-5-[[4-methoxy-3-(2-methoxyethoxy)phenyl]methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine;hydrochloride?

The IUPAC name of 4-ethyl-5-[[4-methoxy-3-(2-methoxyethoxy)phenyl]methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine;hydrochloride (CID 171667594) is 4-ethyl-5-[[4-methoxy-3-(2-methoxyethoxy)phenyl]methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine;hydrochloride.

What is the SMILES notation for 4-ethyl-5-[[4-methoxy-3-(2-methoxyethoxy)phenyl]methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine;hydrochloride?

The canonical SMILES for 4-ethyl-5-[[4-methoxy-3-(2-methoxyethoxy)phenyl]methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine;hydrochloride is CCC1c2ccsc2CCN1Cc1ccc(OC)c(OCCOC)c1.Cl.

What is the InChIKey of 4-ethyl-5-[[4-methoxy-3-(2-methoxyethoxy)phenyl]methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine;hydrochloride?

The InChIKey is BSCRATYHRYXBNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27NO3S.ClH/c1-4-17-16-8-12-25-20(16)7-9-21(17)14-15-5-6-18(23-3)19(13-15)24-11-10-22-2;/h5-6,8,12-13,17H,4,7,9-11,14H2,1-3H3;1H.

What are the key properties of 4-ethyl-5-[[4-methoxy-3-(2-methoxyethoxy)phenyl]methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine;hydrochloride?

4-ethyl-5-[[4-methoxy-3-(2-methoxyethoxy)phenyl]methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine;hydrochloride has a molecular weight of 397.97 g/mol, XLogP of 4.71, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 4-ethyl-5-[[4-methoxy-3-(2-methoxyethoxy)phenyl]methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine;hydrochloride is sourced from PubChem (CID 171667594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).