chempirical

5-Methoxy-α-methyltryptamine

C12H16N2OCAS 1137-04-8204.27 g/mol

Open in Covalent MOL file
ONHNH2
EtherPrimary amine

Properties

Molecular formula
C12H16N2O
Molar mass
204.27 g/mol
Exact mass
204.1263 Da
Melting point
102 °C
Boiling point
187–190 °C (at 0.3 Torr)
logP
2.07Crippen estimate
Polar surface area
51.0 Ų
H-bond donors / acceptors
2 / 2
Rotatable bonds
3

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number
1137-04-8
SMILES
COc1ccc2[nH]cc(CC(C)N)c2c1
InChIKey
OGNJZVNNKBZFRM-UHFFFAOYSA-N
InChI
InChI=1S/C12H16N2O/c1-8(13)5-9-7-14-12-4-3-10(15-2)6-11(9)12/h3-4,6-8,14H,5,13H2,1-2H3

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Names and synonyms

7 names
  • 1H-Indole-3-ethanamine, 5-methoxy-α-methyl-
  • Indole, 3-(2-aminopropyl)-5-methoxy-
  • 5-Methoxy-α-methyl-1H-indole-3-ethanamine
  • α-Methyl-5-methoxytryptamine
  • α,O-Dimethylserotonin
  • 1-(5-Methoxy-1H-indol-3-yl)propan-2-amine
  • 5-Methoxy-alpha-methyltryptamine

Work with 5-Methoxy-α-methyltryptamine

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-Methoxytryptamine608-07-162 % similar 5-Methoxy-DL-tryptophan28052-84-861 % similar (+-)-Alpha-Methyltryptamine299-26-361 % similar 5-Methoxy-N,N-diisopropyltryptamine4021-34-559 % similar 5-Methoxytryptophol712-09-458 % similar Mexamine66-83-158 % similar 5-Methoxy-N,N-dimethyltryptamine1019-45-056 % similar 2-(5-Methoxy-1H-indol-3-yl)acetonitrile2436-17-156 % similar

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

Same formula

1-Benzyl-pyrrolidine-3-carboxylic acid amide115687-29-1 3-[(2-Hydroxyethyl)(3-methylphenyl)amino]propanenitrile119-95-9 5-Methoxy-N,N-dimethyl-1H-indole-3-methanamine16620-52-3 4-(4-Methyl-1-piperazinyl)benzaldehyde27913-99-1 N-4-Piperidylbenzamide33953-37-6 1-Acetyl-6-amino-3,3-dimethylindoline453562-71-5 (-)-N-Methylcytisine486-86-2 1-(4-Acetylphenyl)piperazine51639-48-6

Elsewhere

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