6,7-Dimethoxy-1,2,3,4-Tetrahydroisoquinoline

C11H15NO2 — CID 15623

IUPAC6,7-dimethoxy-1,2,3,4-tetrahydroisoquinoline
SMILESCOC1=C(C=C2CNCCC2=C1)OC
InChIInChI=1S/C11H15NO2/c1-13-10-5-8-3-4-12-7-9(8)6-11(10)14-2/h5-6,12H,3-4,7H2,1-2H3
InChIKeyCEIXWJHURKEBMQ-UHFFFAOYSA-N
MW193.24 g/mol
LogP1.30
Rot. Bonds2

About 6,7-Dimethoxy-1,2,3,4-Tetrahydroisoquinoline

6,7-Dimethoxy-1,2,3,4-Tetrahydroisoquinoline (PubChem CID 15623) has the molecular formula C11H15NO2 and a molecular weight of 193.24 g/mol. Its IUPAC name is 6,7-dimethoxy-1,2,3,4-tetrahydroisoquinoline.

Molecular Properties

Compound Name6,7-Dimethoxy-1,2,3,4-Tetrahydroisoquinoline
PubChem CID15623
Molecular FormulaC11H15NO2
Molecular Weight193.24 g/mol
Exact Mass193.11
IUPAC Name6,7-dimethoxy-1,2,3,4-tetrahydroisoquinoline
SMILESCOC1=C(C=C2CNCCC2=C1)OC
InChIInChI=1S/C11H15NO2/c1-13-10-5-8-3-4-12-7-9(8)6-11(10)14-2/h5-6,12H,3-4,7H2,1-2H3
InChIKeyCEIXWJHURKEBMQ-UHFFFAOYSA-N
XLogP1.30
TPSA30.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity186

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.24
LogP ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

Emetine
CID 10219
Emetine Hydrochloride
CID 6603320
Laudanosine
CID 73397
6,7-Dimethoxy-2-methyl-1,2,3,4-tetrahydro-isoquinoline
CID 27694
Drotaverine
CID 1712095
(+-)-Laudanosine
CID 15548
(R)-Coclaurine
CID 440989
6,7-Dihydroxy-1,2,3,4-tetrahydroisoquinoline
CID 36937
Salsolidine
CID 164752
N-Methylhomoveratrylamine
CID 77039
Erysotrine
CID 442219
Emetine dihydrochloride
CID 3068143

Frequently Asked Questions

What is the IUPAC name of 6,7-Dimethoxy-1,2,3,4-Tetrahydroisoquinoline?
The IUPAC name of 6,7-Dimethoxy-1,2,3,4-Tetrahydroisoquinoline (CID 15623) is 6,7-dimethoxy-1,2,3,4-tetrahydroisoquinoline.
What is the SMILES notation for 6,7-Dimethoxy-1,2,3,4-Tetrahydroisoquinoline?
The canonical SMILES for 6,7-Dimethoxy-1,2,3,4-Tetrahydroisoquinoline is COC1=C(C=C2CNCCC2=C1)OC.
What is the InChIKey of 6,7-Dimethoxy-1,2,3,4-Tetrahydroisoquinoline?
The InChIKey is CEIXWJHURKEBMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO2/c1-13-10-5-8-3-4-12-7-9(8)6-11(10)14-2/h5-6,12H,3-4,7H2,1-2H3.
What are the key properties of 6,7-Dimethoxy-1,2,3,4-Tetrahydroisoquinoline?
6,7-Dimethoxy-1,2,3,4-Tetrahydroisoquinoline has a molecular weight of 193.24 g/mol, XLogP of 1.30, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-Dimethoxy-1,2,3,4-Tetrahydroisoquinoline is sourced from PubChem (CID 15623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).