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

C₁₄H₁₇BrN₂CAS 143322-57-0293.21 g/mol

Open in Covalent MOL file

Aryl halide Tertiary 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 Å²
H-bond donors / acceptors: 1 / 1
Rotatable bonds: 2
Stereocentres: Rin SMILES atom order

Hazards

Danger

H302 Harmful if swallowedAcute toxicity, oral
H317 May cause an allergic skin reactionSensitization, Skin
H332 Harmful if inhaledAcute toxicity, inhalation
H361f *** Suspected of damaging fertilityReproductive toxicity
H372 ** Causes damage to organs through prolonged or repeated exposureSpecific target organ toxicity, repeated exposure
H400 Very toxic to aquatic lifeHazardous to the aquatic environment, acute hazard
H410 Very toxic to aquatic life with long lasting effectsHazardous to the aquatic environment, long-term hazard

Harmonised EU classification (CLP Annex VI, index 613-201-00-9), via PubChem.

Precautionary statements

P203, P260, P261, P264, P270, P271, P272, P273, P280, P301+P317, P302+P352, P304+P340, P317, P318, P319, P321, P330, P333+P317, P362+P364, P391, P405, P501

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

Weigh it out

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

Names and synonyms

7 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
(R)-5-Bromo-3-(1-methyl-2-pyrrolidinyl 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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