6,7-dimethoxy-1-propan-2-yl-1,2,3,4-tetrahydroisoquinolin-2-ium

C14H22NO2+ — CID 78454606

IUPAC6,7-dimethoxy-1-propan-2-yl-1,2,3,4-tetrahydroisoquinolin-2-ium
SMILESCOc1cc2c(cc1OC)C(C(C)C)[NH2+]CC2
InChIInChI=1S/C14H21NO2/c1-9(2)14-11-8-13(17-4)12(16-3)7-10(11)5-6-15-14/h7-9,14-15H,5-6H2,1-4H3/p+1
InChIKeyIRWSLTSAQIJKQL-UHFFFAOYSA-O
MW236.33 g/mol
LogP1.52
Rot. Bonds3

About 6,7-dimethoxy-1-propan-2-yl-1,2,3,4-tetrahydroisoquinolin-2-ium

6,7-dimethoxy-1-propan-2-yl-1,2,3,4-tetrahydroisoquinolin-2-ium (PubChem CID 78454606) has the molecular formula C14H22NO2+ and a molecular weight of 236.33 g/mol. Its IUPAC name is 6,7-dimethoxy-1-propan-2-yl-1,2,3,4-tetrahydroisoquinolin-2-ium.

Molecular Properties

Compound Name6,7-dimethoxy-1-propan-2-yl-1,2,3,4-tetrahydroisoquinolin-2-ium
PubChem CID78454606
Molecular FormulaC14H22NO2+
Molecular Weight236.33 g/mol
Exact Mass236.16
IUPAC Name6,7-dimethoxy-1-propan-2-yl-1,2,3,4-tetrahydroisoquinolin-2-ium
SMILESCOc1cc2c(cc1OC)C(C(C)C)[NH2+]CC2
InChIInChI=1S/C14H21NO2/c1-9(2)14-11-8-13(17-4)12(16-3)7-10(11)5-6-15-14/h7-9,14-15H,5-6H2,1-4H3/p+1
InChIKeyIRWSLTSAQIJKQL-UHFFFAOYSA-O
XLogP1.52
TPSA35.07 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.33
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 6,7-dimethoxy-1-propan-2-yl-1,2,3,4-tetrahydroisoquinolin-2-ium with MolForge

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Related Compounds

(1R)-6,7-dimethoxy-1-phenyl-1,2,3,4-tetrahydroisoquinolin-2-ium
CID 6921357
(1R)-1-(4-fluorophenyl)-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-2-ium
CID 6921364
5-chloro-2-[(1S)-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-2-ium-1-yl]aniline
CID 6934570
[(1R)-5,6-dimethoxy-2,3-dihydro-1H-inden-1-yl]hydrazine
CID 124633928
1-chloro-5,6-dimethoxy-2,3-dihydro-1H-indene
CID 82024117
(1S)-7-ethoxy-6-methoxy-2-methyl-1-(2-methylpropyl)-1,2,3,4-tetrahydroisoquinolin-2-ium
CID 7055296
5-[(1R)-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-2-ium-1-yl]-6-hydroxy-1,3-dimethyl-2-sulfanylidenepyrimidin-4-one
CID 7082751
(1R)-7,8-dimethoxy-N-methyl-2,3,4,5-tetrahydro-1H-2-benzazepin-2-ium-1-carboxamide
CID 6955029
(2R)-2-[4-[(1S)-6,7-diethoxy-1,2,3,4-tetrahydroisoquinolin-2-ium-1-yl]-2-methoxyphenoxy]propanoate
CID 7290146
2-ethylsulfonyl-6,7-dimethoxy-1-propan-2-yl-3,4-dihydro-1H-isoquinoline
CID 110289342
6,7-dimethoxy-1,2-dimethyl-3,4-dihydro-1H-isoquinoline
CID 22646
1-bromo-6,7-dimethoxy-2-methyl-3,4-dihydro-1H-isoquinoline
CID 116995533

Frequently Asked Questions

What is the IUPAC name of 6,7-dimethoxy-1-propan-2-yl-1,2,3,4-tetrahydroisoquinolin-2-ium?
The IUPAC name of 6,7-dimethoxy-1-propan-2-yl-1,2,3,4-tetrahydroisoquinolin-2-ium (CID 78454606) is 6,7-dimethoxy-1-propan-2-yl-1,2,3,4-tetrahydroisoquinolin-2-ium.
What is the SMILES notation for 6,7-dimethoxy-1-propan-2-yl-1,2,3,4-tetrahydroisoquinolin-2-ium?
The canonical SMILES for 6,7-dimethoxy-1-propan-2-yl-1,2,3,4-tetrahydroisoquinolin-2-ium is COc1cc2c(cc1OC)C(C(C)C)[NH2+]CC2.
What is the InChIKey of 6,7-dimethoxy-1-propan-2-yl-1,2,3,4-tetrahydroisoquinolin-2-ium?
The InChIKey is IRWSLTSAQIJKQL-UHFFFAOYSA-O. The full InChI is InChI=1S/C14H21NO2/c1-9(2)14-11-8-13(17-4)12(16-3)7-10(11)5-6-15-14/h7-9,14-15H,5-6H2,1-4H3/p+1.
What are the key properties of 6,7-dimethoxy-1-propan-2-yl-1,2,3,4-tetrahydroisoquinolin-2-ium?
6,7-dimethoxy-1-propan-2-yl-1,2,3,4-tetrahydroisoquinolin-2-ium has a molecular weight of 236.33 g/mol, XLogP of 1.52, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-dimethoxy-1-propan-2-yl-1,2,3,4-tetrahydroisoquinolin-2-ium is sourced from PubChem (CID 78454606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).