chempirical

5-Methyltryptamine

C11H14N2CAS 1821-47-2174.25 g/mol

Open in Covalent MOL file
HNNH2
Primary amine

Properties

Molecular formula
C11H14N2
Molar mass
174.25 g/mol
Exact mass
174.1157 Da
Melting point
95 °C
logP
1.98Crippen estimate
Polar surface area
41.8 Ų
H-bond donors / acceptors
2 / 1
Rotatable bonds
2

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
1821-47-2
SMILES
Cc1ccc2[nH]cc(CCN)c2c1
InChIKey
PYOUAIQXJALPKW-UHFFFAOYSA-N
InChI
InChI=1S/C11H14N2/c1-8-2-3-11-10(6-8)9(4-5-12)7-13-11/h2-3,6-7,13H,4-5,12H2,1H3

Weigh it out

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

Names and synonyms

8 names
  • 1H-Indole-3-ethanamine, 5-methyl-
  • Indole, 3-(2-aminoethyl)-5-methyl-
  • 5-Methyl-1H-indole-3-ethanamine
  • NSC 90805
  • 2-(5-Methyl-indol-3-yl)ethyl amine
  • 2-(5-Methyl-1H-indol-3-yl)ethanamine
  • 2-(5-Methyl-1H-indol-3-yl)ethylamine
  • 2-(5-Methyl-1H-indol-3-yl)ethan-1-amine

Work with 5-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

Stereoisomers, salts and isotopologues

The same compound in another form: other stereochemistry, a salt or hydrate, the free acid or base, or an isotope-labelled version.

5-Methyltryptamine hydrochloride1010-95-3Salt 5-Methyltryptamine hydrochloride55795-89-6Salt

Similar compounds

5-Methoxytryptamine608-07-163 % similar 5-Chlorotryptamine3764-94-162 % similar Serotonin50-67-962 % similar 5-Fluorotryptamine576-16-962 % similar Mexamine66-83-159 % similar Serotonin hydrochloride153-98-057 % similar 5-Fluorotryptamine hydrochloride2711-58-257 % similar 5-Chlorotryptamine hydrochloride942-26-757 % similar

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

Same formula

3-(Ethylphenylamino)propanenitrile148-87-8 2-Methyltryptamine2731-06-8 (+-)-Alpha-Methyltryptamine299-26-3 Methyltryptamine61-49-4 Gramine87-52-5

Elsewhere

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