5-Methoxy-N,N-diethyltryptamine
Basic information
- CAS
1218-40-2- Standard SMILES
CCN(CC)CCc1c[nH]c2ccc(OC)cc12- InChIKey
KGDVJQQWCDDEPP-UHFFFAOYSA-N- Molecular formula
- C15H22N2O
- Average molar mass
- 246.35 g/mol
- Monoisotopic mass
- 246.17321333
Names & identifiers
- Preferred name
- 5-Methoxy-N,N-diethyltryptamine
- IUPAC
- N,N-diethyl-2-(5-methoxy-1H-indol-3-yl)ethanamine
- English name
- n,n-diethyl-5-methoxytryptamine
- Molecular formula
- C15H22N2O
- Molecular weight
- 246.35
Names & synonyms
1218-40-25-Methoxy-N,N-diethyltryptamineN,N-diethyl-2-(5-methoxy-1H-indol-3-yl)ethanamine5-MeO-DET5-Methoxy-diethyltryptamine52HU7LM8HL1H-Indole-3-ethanamine, N,N-diethyl-5-methoxy-UNII-52HU7LM8HLN,N-Diethyl-5-methoxy-1H-indole-3-ethanamineIndole, 3-(2-(diethylamino)ethyl)-5-methoxy-RefChem:1030475-Methoxy DET
Show more names
n,n-diethyl-5-methoxytryptamine
CHEMBL342986N,N-Diethyl-2-(5-methoxy-1H-indol-3-yl)ethan-1-amineNCIOpen2_005835diethyl[2-(5-methoxy-1H-indol-3-yl)ethyl]amineOprea1_794512orb2283809SCHEMBL8892112SCHEMBL29400537
Database identifiers
- CAS
1218-40-2- PubChem CID
- 417608
- DTXSID
DTXSID30329130- ChEMBL
CHEMBL342986- UNII
- 52HU7LM8HL
- Nikkaji
- J1.160.617B
Properties
Computed structural properties
- XLogP
- 2.2
- Topological polar surface area
- 28.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 6
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 243
Physicochemical properties
- Boiling point
- 396.2 · 396.2±32.0 °C(Predicted)
- Density
- 1.061 · 1.061±0.06 g/cm3(Predicted)
- pka
- 16.93 · 16.93±0.30(Predicted)
- form
- A neat solid
- FDA UNII
- 52 HU7LM8HL · 52HU7LM8HL
Chemistry & industry
Applications
Uses5-Methoxy DET is used to prepare N1-benzenesulfonylgramine and N1-benzenesulfonylskatole derivatives as novel 5-HT6 receptor ligands.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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