7-Bromo-1,2,3,4-tetrahydroisoquinoline

C₉H₁₀BrNCAS 17680-55-6212.09 g/mol

Open in Covalent MOL file

Aryl halide Secondary amine

Properties

Molecular formula: C₉H₁₀BrN
Molar mass: 212.09 g/mol
Exact mass: 210.9997 Da
logP: 2.09Crippen estimate
Polar surface area: 12.0 Å²
H-bond donors / acceptors: 1 / 1
Rotatable bonds: 0

Identifiers

CAS number

17680-55-6

SMILES

Brc1ccc2c(c1)CNCC2

InChIKey

OYODEQFZAJVROF-UHFFFAOYSA-N

InChI

InChI=1S/C9H10BrN/c10-9-2-1-7-3-4-11-6-8(7)5-9/h1-2,5,11H,3-4,6H2

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

1 names

Isoquinoline, 7-bromo-1,2,3,4-tetrahydro-

Work with 7-Bromo-1,2,3,4-tetrahydroisoquinoline

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

3-Bromobicyclo[4.2.0]octa-1,3,5-triene1073-39-859 % similar Tetrahydroisoquinoline91-21-452 % similar 6-Hydroxy-1,2,3,4-tetrahydroisoquinoline14446-24-352 % similar 1,2,3,4-Tetrahydro-7-nitroisoquinoline42923-79-547 % similar 1,2,3,4-Tetrahydroisoquinoline hydrochloride14099-81-147 % similar 6-Methoxy-1,2,3,4-tetrahydroisoquinoline42923-77-343 % similar 6,7-Dimethoxy-1,2,3,4-tetrahydroisoquinoline1745-07-943 % similar 6,7-Dimethoxy-1,2,3,4-tetrahydroisoquinoline hydrochloride2328-12-341 % similar

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

Same formula

5-Bromo-1,2,3,4-tetrahydroquinoline114744-50-2 7-Bromo-1,2,3,4-tetrahydroquinoline114744-51-3 8-Bromo-1,2,3,4-tetrahydroisoquinoline75416-51-2

Elsewhere

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