chempirical

5-Bromo-3-[[(2R)-1-methyl-2-pyrrolidinyl]methyl]-1H-indole

C14H17BrN2CAS 143322-57-0293.21 g/mol

Open in Covalent MOL file
NNHBr
Aryl halideTertiary amine

Properties

Molecular formula
C14H17BrN2
Molar mass
293.21 g/mol
Exact mass
292.0575 Da
logP
3.57Crippen estimate
Polar surface area
19.0 Ų
H-bond donors / acceptors
1 / 1
Rotatable bonds
2
Stereocentres
Rin SMILES atom order

Identifiers

CAS number
143322-57-0
SMILES
CN1CCC[C@@H]1Cc1c[nH]c2ccc(Br)cc12
InChIKey
JCXOJXALBTZEFE-GFCCVEGCSA-N
InChI
InChI=1S/C14H17BrN2/c1-17-6-2-3-12(17)7-10-9-16-14-5-4-11(15)8-13(10)14/h4-5,8-9,12,16H,2-3,6-7H2,1H3/t12-/m1/s1

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Names and synonyms

6 names
  • 1H-Indole, 5-bromo-3-[[(2R)-1-methyl-2-pyrrolidinyl]methyl]-
  • 1H-Indole, 5-bromo-3-[(1-methyl-2-pyrrolidinyl)methyl]-, (R)-
  • (R)-5-Bromo-3-(N-methylpyrrolidin-2-ylmethyl)-1H-indole
  • 5-Bromo-3-[[(2R)-1-methylpyrrolidin-2-yl]methyl]-1H-indole
  • (R)-5-Bromo-3-(1-methyl-pyrrolidin-2-ylmethyl)-1H-indole
  • (R)-5-Bromo-3-((1-methylpyrrolidin-2-yl)methyl)-1H-indole

Work with 5-Bromo-3-[[(2R)-1-methyl-2-pyrrolidinyl]methyl]-1H-indole

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

Eletriptan143322-58-156 % similar Eletriptan hydrobromide177834-92-353 % similar 5-Bromo-1H-indole-3-ethanol32774-29-148 % similar 5-Bromo-dl-tryptophan6548-09-046 % similar 5-Bromo-1H-indole-3-butanoic acid13993-31-244 % similar 5-Bromo-1H-indole-3-acetamide196081-79-543 % similar (5-Bromo-1H-indol-3-yl)acetic acid40432-84-643 % similar Phenylmethyl (2R)-2-[(5-bromo-1H-indol-3-yl)carbonyl]-1-pyrrolidinecarboxylate143322-56-939 % similar

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

Elsewhere

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