5-Methoxy-N,N-diisopropyltryptamine

C17H26N2OCAS 4021-34-5274.41 g/mol

Open in Covalent MOL file
OHNN
EtherTertiary amine

Properties

Molecular formula
C17H26N2O
Molar mass
274.41 g/mol
Exact mass
274.2045 Da
Melting point
181–186 °C
logP
3.84Crippen estimate
Polar surface area
28.3 Ų
H-bond donors / acceptors
1 / 2
Rotatable bonds
6

Hazards

Warning
Irritant (GHS07)

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

Precautionary statements

P264, P270, P301+P317, P330, P501

Identifiers

CAS number
4021-34-5
SMILES
COc1ccc2[nH]cc(CCN(C(C)C)C(C)C)c2c1
InChIKey
DNBPMBJFRRVTSJ-UHFFFAOYSA-N
InChI
InChI=1S/C17H26N2O/c1-12(2)19(13(3)4)9-8-14-11-18-17-7-6-15(20-5)10-16(14)17/h6-7,10-13,18H,8-9H2,1-5H3

Weigh it out

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

Names and synonyms

5 names
  • 1H-Indole-3-ethanamine, 5-methoxy-N,N-bis(1-methylethyl)-
  • Indole, 3-[2-(diisopropylamino)ethyl]-5-methoxy-
  • 5-Methoxy-N,N-bis(1-methylethyl)-1H-indole-3-ethanamine
  • N,N-Diisopropyl-5-methoxytryptamine
  • 3-[2-(Diisopropylamino)ethyl]-5-methoxyindole

Work with 5-Methoxy-N,N-diisopropyltryptamine

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-dimethyltryptamine1019-45-069 % similar 5-Methoxytryptamine608-07-160 % similar 5-Methoxytryptophol712-09-460 % similar 5-Methoxy-N,N-dimethyl-1H-indole-3-methanamine16620-52-359 % similar 5-Methoxy-α-methyltryptamine1137-04-859 % similar Mexamine66-83-157 % similar 2-(5-Methoxy-1H-indol-3-yl)acetonitrile2436-17-154 % similar 5-Methoxyindoleacetic acid3471-31-651 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

Ropivacaine84057-95-4 (+)-Ropivacaine98717-16-9

Elsewhere

PubChem CAS Common Chemistry NIST WebBook