5-methoxy-6-methyl-1,2,3,4-tetrahydroisoquinoline

C11H15NO — CID 83874749

IUPAC5-methoxy-6-methyl-1,2,3,4-tetrahydroisoquinoline
SMILESCOc1c(C)ccc2c1CCNC2
InChIInChI=1S/C11H15NO/c1-8-3-4-9-7-12-6-5-10(9)11(8)13-2/h3-4,12H,5-7H2,1-2H3
InChIKeyXGUHKOUTHSCAQL-UHFFFAOYSA-N
MW177.25 g/mol
LogP1.65
Rot. Bonds1

About 5-methoxy-6-methyl-1,2,3,4-tetrahydroisoquinoline

5-methoxy-6-methyl-1,2,3,4-tetrahydroisoquinoline (PubChem CID 83874749) has the molecular formula C11H15NO and a molecular weight of 177.25 g/mol. Its IUPAC name is 5-methoxy-6-methyl-1,2,3,4-tetrahydroisoquinoline.

Molecular Properties

Compound Name5-methoxy-6-methyl-1,2,3,4-tetrahydroisoquinoline
PubChem CID83874749
Molecular FormulaC11H15NO
Molecular Weight177.25 g/mol
Exact Mass177.12
IUPAC Name5-methoxy-6-methyl-1,2,3,4-tetrahydroisoquinoline
SMILESCOc1c(C)ccc2c1CCNC2
InChIInChI=1S/C11H15NO/c1-8-3-4-9-7-12-6-5-10(9)11(8)13-2/h3-4,12H,5-7H2,1-2H3
InChIKeyXGUHKOUTHSCAQL-UHFFFAOYSA-N
XLogP1.65
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.25
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-methoxy-1,2,3,4-tetrahydroisoquinolin-6-amine
CID 84656591
6,7-dimethoxy-2,3,4,5-tetrahydro-1H-2-benzazepine
CID 83820244
6-ethoxy-5-methoxy-1,2,3,4-tetrahydroisoquinoline;hydrochloride
CID 160634725
6-(2,2-difluoroethoxy)-5-methoxy-1,2,3,4-tetrahydroisoquinoline;hydrochloride
CID 162309445
5-methoxy-6-(3,3,3-trifluoropropoxy)-1,2,3,4-tetrahydroisoquinoline
CID 118940185
6-methoxy-1,2,3,4-tetrahydroisoquinolin-5-ol
CID 83875098
5-methoxy-6-(3,3,3-trifluoropropoxy)-1,2,3,4-tetrahydroisoquinoline;hydrochloride
CID 162334890
6,7-dimethoxy-5,8-dimethyl-1,2,3,4-tetrahydroisoquinoline
CID 59526473
ethane;5-methoxy-8-methyl-1,2,3,4-tetrahydroisoquinoline
CID 145416816
5-methyl-1,2,3,4-tetrahydroisoquinolin-6-ol
CID 59370482
6-methoxy-5-nitro-1,2,3,4-tetrahydroisoquinoline
CID 59585598
5-methoxy-1,2,3,4-tetrahydro-2,6-naphthyridine;hydrochloride
CID 146585921

Frequently Asked Questions

What is the IUPAC name of 5-methoxy-6-methyl-1,2,3,4-tetrahydroisoquinoline?
The IUPAC name of 5-methoxy-6-methyl-1,2,3,4-tetrahydroisoquinoline (CID 83874749) is 5-methoxy-6-methyl-1,2,3,4-tetrahydroisoquinoline.
What is the SMILES notation for 5-methoxy-6-methyl-1,2,3,4-tetrahydroisoquinoline?
The canonical SMILES for 5-methoxy-6-methyl-1,2,3,4-tetrahydroisoquinoline is COc1c(C)ccc2c1CCNC2.
What is the InChIKey of 5-methoxy-6-methyl-1,2,3,4-tetrahydroisoquinoline?
The InChIKey is XGUHKOUTHSCAQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO/c1-8-3-4-9-7-12-6-5-10(9)11(8)13-2/h3-4,12H,5-7H2,1-2H3.
What are the key properties of 5-methoxy-6-methyl-1,2,3,4-tetrahydroisoquinoline?
5-methoxy-6-methyl-1,2,3,4-tetrahydroisoquinoline has a molecular weight of 177.25 g/mol, XLogP of 1.65, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-6-methyl-1,2,3,4-tetrahydroisoquinoline is sourced from PubChem (CID 83874749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).