chempirical

5-Fluoro-N,N-dimethyl-1H-indole-3-methanamine

C11H13FN2CAS 343-90-8192.24 g/mol

Open in Covalent MOL file
NNHF
Aryl halideTertiary amine

Properties

Molecular formula
C11H13FN2
Molar mass
192.24 g/mol
Exact mass
192.1063 Da
Melting point
139–141 °C
logP
2.37Crippen estimate
Polar surface area
19.0 Ų
H-bond donors / acceptors
1 / 1
Rotatable bonds
2

Identifiers

CAS number
343-90-8
SMILES
CN(C)Cc1c[nH]c2ccc(F)cc12
InChIKey
QNCNSISRJMCGPK-UHFFFAOYSA-N
InChI
InChI=1S/C11H13FN2/c1-14(2)7-8-6-13-11-4-3-9(12)5-10(8)11/h3-6,13H,7H2,1-2H3

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Names and synonyms

8 names
  • 1H-Indole-3-methanamine, 5-fluoro-N,N-dimethyl-
  • Indole, 3-[(dimethylamino)methyl]-5-fluoro-
  • 5-Fluorogramine
  • NSC 88621
  • 5-Fluoro-3-(dimethylaminomethyl)indole
  • 1-(5-Fluoro-1H-indol-3-yl)-N,N-dimethylmethanamine
  • [(5-Fluoro-1H-indol-3-yl)methyl]dimethylamine
  • 3-Dimethylaminomethyl-5-fluoroindole

Work with 5-Fluoro-N,N-dimethyl-1H-indole-3-methanamine

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

5-Methoxy-N,N-dimethyl-1H-indole-3-methanamine16620-52-363 % similar Gramine87-52-559 % similar 5-Fluorotryptamine hydrochloride2711-58-255 % similar N,N-Dimethyl-5-(phenylmethoxy)-1H-indole-3-methanamine1453-97-054 % similar 5-Fluoro-3-methyl-1H-indole392-13-253 % similar 5-Fluoroindole-3-acetic acid443-73-252 % similar 5-Methoxy-N,N-dimethyltryptamine1019-45-047 % similar 5-Fluoro-dl-tryptophan154-08-546 % similar

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

Elsewhere

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