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

C₉H₁₀BrNCAS 75416-51-2212.09 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

75416-51-2

SMILES

Brc1cccc2c1CNCC2

InChIKey

KHWGHUZYXQPIKA-UHFFFAOYSA-N

InChI

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

Weigh it out

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

Names and synonyms

1 names

Isoquinoline, 8-bromo-1,2,3,4-tetrahydro-

Work with 8-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

4-Bromoisoindoline hydrochloride923590-95-861 % similar Tetrahydroisoquinoline91-21-452 % similar 1,2,3,4-Tetrahydroisoquinoline hydrochloride14099-81-147 % similar Benzylphenethylamine3647-71-038 % similar 5-Bromoacenaphthene2051-98-137 % similar 2-Bromobenzeneethanol1074-16-435 % similar 6-Hydroxy-1,2,3,4-tetrahydroisoquinoline14446-24-335 % similar 2-Bromobenzyl bromide3433-80-534 % 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 7-Bromo-1,2,3,4-tetrahydroisoquinoline17680-55-6

Elsewhere

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