6-methoxy-3-methyl-1,2-dihydroisoquinoline

C11H13NO — CID 69142122

IUPAC6-methoxy-3-methyl-1,2-dihydroisoquinoline
SMILESCOc1ccc2c(c1)C=C(C)NC2
InChIInChI=1S/C11H13NO/c1-8-5-10-6-11(13-2)4-3-9(10)7-12-8/h3-6,12H,7H2,1-2H3
InChIKeyLGKGCDGMWZUXAL-UHFFFAOYSA-N
MW175.23 g/mol
LogP2.16
Rot. Bonds1

About 6-methoxy-3-methyl-1,2-dihydroisoquinoline

6-methoxy-3-methyl-1,2-dihydroisoquinoline (PubChem CID 69142122) has the molecular formula C11H13NO and a molecular weight of 175.23 g/mol. Its IUPAC name is 6-methoxy-3-methyl-1,2-dihydroisoquinoline.

Molecular Properties

Compound Name6-methoxy-3-methyl-1,2-dihydroisoquinoline
PubChem CID69142122
Molecular FormulaC11H13NO
Molecular Weight175.23 g/mol
Exact Mass175.10
IUPAC Name6-methoxy-3-methyl-1,2-dihydroisoquinoline
SMILESCOc1ccc2c(c1)C=C(C)NC2
InChIInChI=1S/C11H13NO/c1-8-5-10-6-11(13-2)4-3-9(10)7-12-8/h3-6,12H,7H2,1-2H3
InChIKeyLGKGCDGMWZUXAL-UHFFFAOYSA-N
XLogP2.16
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.23
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-methoxy-2-methyl-1H-indene
CID 12616525
3-methoxy-5-(6-methoxy-1,2-dihydroisoquinolin-3-yl)-1,2-oxazole
CID 140563549
3,6-dimethoxy-1,2-dihydronaphthalene
CID 13364263
7-methoxy-3,4-dihydro-1H-quinazoline-2-thione
CID 84773181
7-methoxy-3,4-dihydro-1,3-benzoxazine-2-thione
CID 84773574
7-methoxy-3,4-dihydronaphthalene-2-carboxylic acid
CID 67598336
8-methoxy-1-oxo-4,5-dihydro-1λ4,4-benzothiazepin-3-one
CID 54562668
2-(7-methoxy-3,4-dihydronaphthalen-2-yl)ethanamine
CID 83832198
3-(5-methoxy-1H-inden-2-yl)pyridine
CID 6540048
ethane;7-methoxy-1,2,3,4-tetrahydroisoquinoline
CID 143868283
6-methoxy-3,4-dihydro-1,3-benzoxazin-2-one
CID 19095507
6-methoxyspiro[1,2-dihydroindene-3,4'-piperidine]
CID 82277020

Frequently Asked Questions

What is the IUPAC name of 6-methoxy-3-methyl-1,2-dihydroisoquinoline?
The IUPAC name of 6-methoxy-3-methyl-1,2-dihydroisoquinoline (CID 69142122) is 6-methoxy-3-methyl-1,2-dihydroisoquinoline.
What is the SMILES notation for 6-methoxy-3-methyl-1,2-dihydroisoquinoline?
The canonical SMILES for 6-methoxy-3-methyl-1,2-dihydroisoquinoline is COc1ccc2c(c1)C=C(C)NC2.
What is the InChIKey of 6-methoxy-3-methyl-1,2-dihydroisoquinoline?
The InChIKey is LGKGCDGMWZUXAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NO/c1-8-5-10-6-11(13-2)4-3-9(10)7-12-8/h3-6,12H,7H2,1-2H3.
What are the key properties of 6-methoxy-3-methyl-1,2-dihydroisoquinoline?
6-methoxy-3-methyl-1,2-dihydroisoquinoline has a molecular weight of 175.23 g/mol, XLogP of 2.16, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-3-methyl-1,2-dihydroisoquinoline is sourced from PubChem (CID 69142122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).