chempirical

6,7-Dimethoxy-1,2,3,4-tetrahydroisoquinoline hydrochloride

C11H16ClNO2CAS 2328-12-3229.70 g/mol

Open in Covalent MOL file
OONHHCl
EtherSecondary amine

Properties

Molecular formula
C11H16ClNO2
Molar mass
229.70 g/mol
Exact mass
229.0870 Da
Melting point
263 °C
logP
1.77Crippen estimate
Polar surface area
30.5 Ų
H-bond donors / acceptors
1 / 3
Rotatable bonds
2

Identifiers

CAS number
2328-12-3
SMILES
COc1cc2c(cc1OC)CNCC2.Cl
InChIKey
SHOWAGCIRTUYNA-UHFFFAOYSA-N
InChI
InChI=1S/C11H15NO2.ClH/c1-13-10-5-8-3-4-12-7-9(8)6-11(10)14-2;/h5-6,12H,3-4,7H2,1-2H3;1H

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Names and synonyms

7 names
  • Isoquinoline, 1,2,3,4-tetrahydro-6,7-dimethoxy-, hydrochloride (1:1)
  • Isoquinoline, 1,2,3,4-tetrahydro-6,7-dimethoxy-, hydrochloride
  • Heliamine hydrochloride
  • 1,2,3,4-Tetrahydro-6,7-dimethoxyisoquinoline hydrochloride
  • 6,7-Dimethoxy-3,4-dihydro-2(1H)-isoquinoline hydrochloride
  • 6,7-Dimethoxy-1,2,3,4-tetrahydroisoquinoline monohydrochloride
  • 6,7-Bis(methyloxy)-1,2,3,4-tetrahydroisoquinoline hydrochloride

Work with 6,7-Dimethoxy-1,2,3,4-tetrahydroisoquinoline hydrochloride

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

6,7-Dimethoxy-1,2,3,4-tetrahydroisoquinoline1745-07-993 % similar 6-Methoxy-1,2,3,4-tetrahydroisoquinoline hydrochloride57196-62-066 % similar 6-Methoxy-1,2,3,4-tetrahydroisoquinoline42923-77-357 % similar 1,2,3,4-Tetrahydroisoquinoline hydrochloride14099-81-148 % similar 3,4-Dihydro-6,7-dimethoxyisoquinoline hydrochloride20232-39-746 % similar (1S)-4,5-Dimethoxy-1-[(methylamino)methyl]benzocyclobutane hydrochloride866783-13-344 % similar D-(-)-Tetrahydropapaverine hydrochloride54417-53-743 % similar Tetrahydropapaverine hydrochloride6429-04-543 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

2-(Chloromethyl)-4-(3-methoxypropoxy)-3-methylpyridine117977-20-5 (S)-3-Amino-3-phenylpropanoic acid ethyl ester hydrochloride167834-24-4 Phenylalanine ethyl ester hydrochloride3182-93-2

Elsewhere

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