chempirical

2-Methyltryptamine

C11H14N2CAS 2731-06-8174.25 g/mol

Open in Covalent MOL file
NHH2N
Primary amine

Properties

Molecular formula
C11H14N2
Molar mass
174.25 g/mol
Exact mass
174.1157 Da
Melting point
87 °C
Boiling point
196–200 °C
logP
1.98Crippen estimate
Polar surface area
41.8 Ų
H-bond donors / acceptors
2 / 1
Rotatable bonds
2

Hazards

Warning
Irritant (GHS07)

Aggregated from 2 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number
2731-06-8
SMILES
Cc1[nH]c2ccccc2c1CCN
InChIKey
CPVSLHQIPGTMLH-UHFFFAOYSA-N
InChI
InChI=1S/C11H14N2/c1-8-9(6-7-12)10-4-2-3-5-11(10)13-8/h2-5,13H,6-7,12H2,1H3

Weigh it out

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

Names and synonyms

7 names
  • 1H-Indole-3-ethanamine, 2-methyl-
  • Indole, 3-(2-aminoethyl)-2-methyl-
  • 2-Methyl-1H-indole-3-ethanamine
  • 2-(2-Methyl-1H-indol-3-yl)ethanamine
  • 2-(2-Methyl-1H-indol-3-yl)ethan-1-amine
  • 2-Methylindole-3-ethylamine
  • 2-Methyl-1H-indole-3-ethylamine

Work with 2-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 Boiling point under vacuumAt any pressure, from its normal boiling point Isotope patternExact mass and the mass spectrum pattern

Similar compounds

2-Methyl-1H-indole-3-acetic acid1912-43-253 % similar 2,3-Dimethylindole91-55-452 % similar Tryptamine61-54-147 % similar 2-Methylindole-3-carboxaldehyde5416-80-845 % similar 1,2,3,4-Tetrahydrocarbazole942-01-844 % similar Tryptamine hydrochloride343-94-244 % similar 6,7,8,9,10,11-Hexahydro-5H-cycloocta[B]indole22793-63-143 % similar Tryptoline16502-01-540 % similar

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

Same formula

3-(Ethylphenylamino)propanenitrile148-87-8 5-Methyltryptamine1821-47-2 (+-)-Alpha-Methyltryptamine299-26-3 Methyltryptamine61-49-4 Gramine87-52-5

Elsewhere

PubChem CAS Common Chemistry NIST WebBook