1-methoxy-1-methyl-3,4-dihydro-2H-isoquinoline

C11H15NO — CID 86105368

IUPAC1-methoxy-1-methyl-3,4-dihydro-2H-isoquinoline
SMILESCOC1(C)NCCc2ccccc21
InChIInChI=1S/C11H15NO/c1-11(13-2)10-6-4-3-5-9(10)7-8-12-11/h3-6,12H,7-8H2,1-2H3
InChIKeyYXLCLPJXNVPJQL-UHFFFAOYSA-N
MW177.25 g/mol
LogP1.65
Rot. Bonds1

About 1-methoxy-1-methyl-3,4-dihydro-2H-isoquinoline

1-methoxy-1-methyl-3,4-dihydro-2H-isoquinoline (PubChem CID 86105368) has the molecular formula C11H15NO and a molecular weight of 177.25 g/mol. Its IUPAC name is 1-methoxy-1-methyl-3,4-dihydro-2H-isoquinoline.

Molecular Properties

Compound Name1-methoxy-1-methyl-3,4-dihydro-2H-isoquinoline
PubChem CID86105368
Molecular FormulaC11H15NO
Molecular Weight177.25 g/mol
Exact Mass177.12
IUPAC Name1-methoxy-1-methyl-3,4-dihydro-2H-isoquinoline
SMILESCOC1(C)NCCc2ccccc21
InChIInChI=1S/C11H15NO/c1-11(13-2)10-6-4-3-5-9(10)7-8-12-11/h3-6,12H,7-8H2,1-2H3
InChIKeyYXLCLPJXNVPJQL-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

1,1-dimethoxy-3,4-dihydro-2H-isoquinoline
CID 66811083
1,1-dimethyl-3,4-dihydro-2H-isoquinoline;hydrochloride
CID 67224173
5-methoxy-5-methyl-1,2,3,4-tetrahydro-3-benzazepine
CID 141149010
(1R)-1-methyl-1-(trifluoromethyl)-3,4-dihydro-2H-isoquinoline
CID 99779575
(1R)-1-methyl-1-phenyl-3,4-dihydro-2H-isoquinoline;hydrochloride
CID 10220811
5-methoxy-1,2,3,4-tetrahydro-3-benzazepin-5-ol
CID 126650795
spiro[3,4-dihydro-2H-isoquinoline-1,1'-cyclopentane]
CID 91557907
1,1-diphenyl-3,4-dihydro-2H-isoquinoline
CID 59396601
1-methylsulfanyl-1-phenyl-3,4-dihydro-2H-isoquinoline
CID 141431344
1-(difluoromethyl)-1-fluoro-3,4-dihydro-2H-isoquinoline
CID 172771527
1-methoxy-2,3-dihydroindene-1-carboxylic acid
CID 22367227
(3R)-spiro[1,2-dihydroindene-3,2'-pyrrolidine]
CID 96851281

Frequently Asked Questions

What is the IUPAC name of 1-methoxy-1-methyl-3,4-dihydro-2H-isoquinoline?
The IUPAC name of 1-methoxy-1-methyl-3,4-dihydro-2H-isoquinoline (CID 86105368) is 1-methoxy-1-methyl-3,4-dihydro-2H-isoquinoline.
What is the SMILES notation for 1-methoxy-1-methyl-3,4-dihydro-2H-isoquinoline?
The canonical SMILES for 1-methoxy-1-methyl-3,4-dihydro-2H-isoquinoline is COC1(C)NCCc2ccccc21.
What is the InChIKey of 1-methoxy-1-methyl-3,4-dihydro-2H-isoquinoline?
The InChIKey is YXLCLPJXNVPJQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO/c1-11(13-2)10-6-4-3-5-9(10)7-8-12-11/h3-6,12H,7-8H2,1-2H3.
What are the key properties of 1-methoxy-1-methyl-3,4-dihydro-2H-isoquinoline?
1-methoxy-1-methyl-3,4-dihydro-2H-isoquinoline 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 1-methoxy-1-methyl-3,4-dihydro-2H-isoquinoline is sourced from PubChem (CID 86105368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).