6,7-Dimethoxy-2-methyl-1,2,3,4-tetrahydro-isoquinoline

C12H17NO2 — CID 27694

IUPAC6,7-dimethoxy-2-methyl-3,4-dihydro-1H-isoquinoline
SMILESCN1CCC2=CC(=C(C=C2C1)OC)OC
InChIInChI=1S/C12H17NO2/c1-13-5-4-9-6-11(14-2)12(15-3)7-10(9)8-13/h6-7H,4-5,8H2,1-3H3
InChIKeyTXPPKWZEHFNZOE-UHFFFAOYSA-N
MW207.27 g/mol
LogP1.70
Rot. Bonds2

About 6,7-Dimethoxy-2-methyl-1,2,3,4-tetrahydro-isoquinoline

6,7-Dimethoxy-2-methyl-1,2,3,4-tetrahydro-isoquinoline (PubChem CID 27694) has the molecular formula C12H17NO2 and a molecular weight of 207.27 g/mol. Its IUPAC name is 6,7-dimethoxy-2-methyl-3,4-dihydro-1H-isoquinoline.

Molecular Properties

Compound Name6,7-Dimethoxy-2-methyl-1,2,3,4-tetrahydro-isoquinoline
PubChem CID27694
Molecular FormulaC12H17NO2
Molecular Weight207.27 g/mol
Exact Mass207.13
IUPAC Name6,7-dimethoxy-2-methyl-3,4-dihydro-1H-isoquinoline
SMILESCN1CCC2=CC(=C(C=C2C1)OC)OC
InChIInChI=1S/C12H17NO2/c1-13-5-4-9-6-11(14-2)12(15-3)7-10(9)8-13/h6-7H,4-5,8H2,1-3H3
InChIKeyTXPPKWZEHFNZOE-UHFFFAOYSA-N
XLogP1.70
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity210

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.27
LogP ≤ 51.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

Tetrabenazine
CID 6018
(-)-Tetrahydropalmatine
CID 72301
(-)-Nuciferine
CID 10146
Laudanosine
CID 73397
Reticuline
CID 439653
6,7-Dimethoxy-1,2,3,4-Tetrahydroisoquinoline
CID 15623
Hydrocotarnine
CID 3646
Deutetrabenazine
CID 73442840
Drotaverine
CID 1712095
(+-)-Laudanosine
CID 15548
Rotundine
CID 5417
Hydrastinine Hydrochloride
CID 71833

Frequently Asked Questions

What is the IUPAC name of 6,7-Dimethoxy-2-methyl-1,2,3,4-tetrahydro-isoquinoline?
The IUPAC name of 6,7-Dimethoxy-2-methyl-1,2,3,4-tetrahydro-isoquinoline (CID 27694) is 6,7-dimethoxy-2-methyl-3,4-dihydro-1H-isoquinoline.
What is the SMILES notation for 6,7-Dimethoxy-2-methyl-1,2,3,4-tetrahydro-isoquinoline?
The canonical SMILES for 6,7-Dimethoxy-2-methyl-1,2,3,4-tetrahydro-isoquinoline is CN1CCC2=CC(=C(C=C2C1)OC)OC.
What is the InChIKey of 6,7-Dimethoxy-2-methyl-1,2,3,4-tetrahydro-isoquinoline?
The InChIKey is TXPPKWZEHFNZOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO2/c1-13-5-4-9-6-11(14-2)12(15-3)7-10(9)8-13/h6-7H,4-5,8H2,1-3H3.
What are the key properties of 6,7-Dimethoxy-2-methyl-1,2,3,4-tetrahydro-isoquinoline?
6,7-Dimethoxy-2-methyl-1,2,3,4-tetrahydro-isoquinoline has a molecular weight of 207.27 g/mol, XLogP of 1.70, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-Dimethoxy-2-methyl-1,2,3,4-tetrahydro-isoquinoline is sourced from PubChem (CID 27694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).