6-ethoxy-7-methoxy-2-methyl-1,2,3,4-tetrahydroisoquinolin-2-ium chloride

C13H20ClNO2 — CID 23816

IUPAC6-ethoxy-7-methoxy-2-methyl-1,2,3,4-tetrahydroisoquinolin-2-ium chloride
SMILESCCOc1cc2c(cc1OC)C[NH+](C)CC2.[Cl-]
InChIInChI=1S/C13H19NO2.ClH/c1-4-16-13-7-10-5-6-14(2)9-11(10)8-12(13)15-3;/h7-8H,4-6,9H2,1-3H3;1H
InChIKeyIFTNPBAFIZLZEQ-UHFFFAOYSA-N
MW257.76 g/mol
LogP-2.33
Rot. Bonds3

About 6-ethoxy-7-methoxy-2-methyl-1,2,3,4-tetrahydroisoquinolin-2-ium chloride

6-ethoxy-7-methoxy-2-methyl-1,2,3,4-tetrahydroisoquinolin-2-ium chloride (PubChem CID 23816) has the molecular formula C13H20ClNO2 and a molecular weight of 257.76 g/mol. Its IUPAC name is 6-ethoxy-7-methoxy-2-methyl-1,2,3,4-tetrahydroisoquinolin-2-ium chloride.

Molecular Properties

Compound Name6-ethoxy-7-methoxy-2-methyl-1,2,3,4-tetrahydroisoquinolin-2-ium chloride
PubChem CID23816
Molecular FormulaC13H20ClNO2
Molecular Weight257.76 g/mol
Exact Mass257.12
IUPAC Name6-ethoxy-7-methoxy-2-methyl-1,2,3,4-tetrahydroisoquinolin-2-ium chloride
SMILESCCOc1cc2c(cc1OC)C[NH+](C)CC2.[Cl-]
InChIInChI=1S/C13H19NO2.ClH/c1-4-16-13-7-10-5-6-14(2)9-11(10)8-12(13)15-3;/h7-8H,4-6,9H2,1-3H3;1H
InChIKeyIFTNPBAFIZLZEQ-UHFFFAOYSA-N
XLogP-2.33
TPSA22.90 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.76
LogP ≤ 5-2.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-ethoxy-7-methoxy-2-methyl-1,2,3,4-tetrahydroisoquinolin-2-ium chloride?
The IUPAC name of 6-ethoxy-7-methoxy-2-methyl-1,2,3,4-tetrahydroisoquinolin-2-ium chloride (CID 23816) is 6-ethoxy-7-methoxy-2-methyl-1,2,3,4-tetrahydroisoquinolin-2-ium chloride.
What is the SMILES notation for 6-ethoxy-7-methoxy-2-methyl-1,2,3,4-tetrahydroisoquinolin-2-ium chloride?
The canonical SMILES for 6-ethoxy-7-methoxy-2-methyl-1,2,3,4-tetrahydroisoquinolin-2-ium chloride is CCOc1cc2c(cc1OC)C[NH+](C)CC2.[Cl-].
What is the InChIKey of 6-ethoxy-7-methoxy-2-methyl-1,2,3,4-tetrahydroisoquinolin-2-ium chloride?
The InChIKey is IFTNPBAFIZLZEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO2.ClH/c1-4-16-13-7-10-5-6-14(2)9-11(10)8-12(13)15-3;/h7-8H,4-6,9H2,1-3H3;1H.
What are the key properties of 6-ethoxy-7-methoxy-2-methyl-1,2,3,4-tetrahydroisoquinolin-2-ium chloride?
6-ethoxy-7-methoxy-2-methyl-1,2,3,4-tetrahydroisoquinolin-2-ium chloride has a molecular weight of 257.76 g/mol, XLogP of -2.33, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethoxy-7-methoxy-2-methyl-1,2,3,4-tetrahydroisoquinolin-2-ium chloride is sourced from PubChem (CID 23816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).