3,4-dimethoxy-1,2,3,4-tetrahydroisoquinoline

C11H15NO2 — CID 19420482

IUPAC3,4-dimethoxy-1,2,3,4-tetrahydroisoquinoline
SMILESCOC1NCc2ccccc2C1OC
InChIInChI=1S/C11H15NO2/c1-13-10-9-6-4-3-5-8(9)7-12-11(10)14-2/h3-6,10-12H,7H2,1-2H3
InChIKeyQKTLSLSBVUIJLV-UHFFFAOYSA-N
MW193.25 g/mol
LogP1.45
Rot. Bonds2

About 3,4-dimethoxy-1,2,3,4-tetrahydroisoquinoline

3,4-dimethoxy-1,2,3,4-tetrahydroisoquinoline (PubChem CID 19420482) has the molecular formula C11H15NO2 and a molecular weight of 193.25 g/mol. Its IUPAC name is 3,4-dimethoxy-1,2,3,4-tetrahydroisoquinoline.

Molecular Properties

Compound Name3,4-dimethoxy-1,2,3,4-tetrahydroisoquinoline
PubChem CID19420482
Molecular FormulaC11H15NO2
Molecular Weight193.25 g/mol
Exact Mass193.11
IUPAC Name3,4-dimethoxy-1,2,3,4-tetrahydroisoquinoline
SMILESCOC1NCc2ccccc2C1OC
InChIInChI=1S/C11H15NO2/c1-13-10-9-6-4-3-5-8(9)7-12-11(10)14-2/h3-6,10-12H,7H2,1-2H3
InChIKeyQKTLSLSBVUIJLV-UHFFFAOYSA-N
XLogP1.45
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.25
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3,4-dimethoxy-1,2,3,4-tetrahydroisoquinoline?
The IUPAC name of 3,4-dimethoxy-1,2,3,4-tetrahydroisoquinoline (CID 19420482) is 3,4-dimethoxy-1,2,3,4-tetrahydroisoquinoline.
What is the SMILES notation for 3,4-dimethoxy-1,2,3,4-tetrahydroisoquinoline?
The canonical SMILES for 3,4-dimethoxy-1,2,3,4-tetrahydroisoquinoline is COC1NCc2ccccc2C1OC.
What is the InChIKey of 3,4-dimethoxy-1,2,3,4-tetrahydroisoquinoline?
The InChIKey is QKTLSLSBVUIJLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO2/c1-13-10-9-6-4-3-5-8(9)7-12-11(10)14-2/h3-6,10-12H,7H2,1-2H3.
What are the key properties of 3,4-dimethoxy-1,2,3,4-tetrahydroisoquinoline?
3,4-dimethoxy-1,2,3,4-tetrahydroisoquinoline has a molecular weight of 193.25 g/mol, XLogP of 1.45, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dimethoxy-1,2,3,4-tetrahydroisoquinoline is sourced from PubChem (CID 19420482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).