7-methoxy-1-methyl-1,2,3,4-tetrahydroisoquinoline

C11H15NO — CID 15940011

IUPAC7-methoxy-1-methyl-1,2,3,4-tetrahydroisoquinoline
SMILESCOc1ccc2c(c1)C(C)NCC2
InChIInChI=1S/C11H15NO/c1-8-11-7-10(13-2)4-3-9(11)5-6-12-8/h3-4,7-8,12H,5-6H2,1-2H3
InChIKeyVMIDQQQAEQXCDJ-UHFFFAOYSA-N
MW177.25 g/mol
LogP1.90
Rot. Bonds1

About 7-methoxy-1-methyl-1,2,3,4-tetrahydroisoquinoline

7-methoxy-1-methyl-1,2,3,4-tetrahydroisoquinoline (PubChem CID 15940011) has the molecular formula C11H15NO and a molecular weight of 177.25 g/mol. Its IUPAC name is 7-methoxy-1-methyl-1,2,3,4-tetrahydroisoquinoline.

Molecular Properties

Compound Name7-methoxy-1-methyl-1,2,3,4-tetrahydroisoquinoline
PubChem CID15940011
Molecular FormulaC11H15NO
Molecular Weight177.25 g/mol
Exact Mass177.12
IUPAC Name7-methoxy-1-methyl-1,2,3,4-tetrahydroisoquinoline
SMILESCOc1ccc2c(c1)C(C)NCC2
InChIInChI=1S/C11H15NO/c1-8-11-7-10(13-2)4-3-9(11)5-6-12-8/h3-4,7-8,12H,5-6H2,1-2H3
InChIKeyVMIDQQQAEQXCDJ-UHFFFAOYSA-N
XLogP1.90
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 ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 7-methoxy-1-methyl-1,2,3,4-tetrahydroisoquinoline?
The IUPAC name of 7-methoxy-1-methyl-1,2,3,4-tetrahydroisoquinoline (CID 15940011) is 7-methoxy-1-methyl-1,2,3,4-tetrahydroisoquinoline.
What is the SMILES notation for 7-methoxy-1-methyl-1,2,3,4-tetrahydroisoquinoline?
The canonical SMILES for 7-methoxy-1-methyl-1,2,3,4-tetrahydroisoquinoline is COc1ccc2c(c1)C(C)NCC2.
What is the InChIKey of 7-methoxy-1-methyl-1,2,3,4-tetrahydroisoquinoline?
The InChIKey is VMIDQQQAEQXCDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO/c1-8-11-7-10(13-2)4-3-9(11)5-6-12-8/h3-4,7-8,12H,5-6H2,1-2H3.
What are the key properties of 7-methoxy-1-methyl-1,2,3,4-tetrahydroisoquinoline?
7-methoxy-1-methyl-1,2,3,4-tetrahydroisoquinoline has a molecular weight of 177.25 g/mol, XLogP of 1.90, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methoxy-1-methyl-1,2,3,4-tetrahydroisoquinoline is sourced from PubChem (CID 15940011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).