DrugBank: Diethyltryptamine (DB01460)

Identification

Name

Diethyltryptamine

Accession Number

DB01460

Type

small molecule

Groups

illicit, experimental

Description

Diethyltryptamine (DET) is an orally active hallucinogenic drug and psychedelic compound of moderate duration. DET is a substituted tryptamine, structurally similar to DMT and dipropyltryptamine (DPT). [Wikipedia]

Structure

Download: MOL | SDF | SMILES | InChI
Display: 2D Structure | 3D Structure

Synonyms

3-(2-Diethylaminoethyl)indole
N,N-Diethyl-2-(1H-indol-3-yl)ethanamine

Salts

Not Available

Brand names

Not Available

Brand mixtures

Not Available

Categories

Not Available

CAS number

61-51-8

Weight

Average: 216.322
Monoisotopic: 216.16264865

Chemical Formula

C₁₄H₂₀N₂

InChI Key

InChIKey=LSSUMOWDTKZHHT-UHFFFAOYSA-N

InChI

InChI=1S/C14H20N2/c1-3-16(4-2)10-9-12-11-15-14-8-6-5-7-13(12)14/h5-8,11,15H,3-4,9-10H2,1-2H3

Plain Text

IUPAC Name

diethyl[2-(1H-indol-3-yl)ethyl]amine

SMILES

CCN(CC)CCC1=CNC2=CC=CC=C12

Plain Text

Mass Spec

Not Available

Taxonomy

Kingdom

Not Available

Classes

Not Available

Substructures

Not Available

Pharmacology

Indication

Not Available

Pharmacodynamics

Not Available

Mechanism of action

Not Available

Absorption

Not Available

Volume of distribution

Not Available

Protein binding

Not Available

Metabolism

Not Available

Route of elimination

Not Available

Half life

Not Available

Clearance

Not Available

Toxicity

Not Available

Affected organisms

Not Available

Pathways

Not Available

Pharmacoeconomics

Manufacturers

Not Available

Packagers

Not Available

Dosage forms

Not Available

Prices

Not Available

Patents

Not Available

Properties

State

solid

Experimental Properties

Property	Value	Source
melting point	169–171 °C	Not Available

Predicted Properties

Property	Value	Source
water solubility	3.53e-01 g/l	ALOGPS
logP	3.64	ALOGPS
logP	3.02	ChemAxon
logS	-2.8	ALOGPS
pKa (strongest acidic)	17.16	ChemAxon
pKa (strongest basic)	10.08	ChemAxon
physiological charge	1	ChemAxon
hydrogen acceptor count	1	ChemAxon
hydrogen donor count	1	ChemAxon
polar surface area	19.03	ChemAxon
rotatable bond count	5	ChemAxon
refractivity	69.94	ChemAxon
polarizability	26.41	ChemAxon

References

Synthesis Reference

Not Available

General Reference

Not Available

External Links

Resource	Link
PubChem Compound	6090
PubChem Substance	46504638
ChemSpider	5865
BindingDB	50094676
Wikipedia	http://en.wikipedia.org/wiki/Diethyltryptamine

ATC Codes

Not Available

AHFS Codes

Not Available

PDB Entries

Not Available

FDA label

Not Available

MSDS

Not Available

Interactions

Drug Interactions

Not Available

Food Interactions

Not Available

Comments

Drug created on July 31, 2007 07:09 / Updated on February 08, 2013 16:20