Details of the Drug

General Information of Drug (ID: DM0UBI9)

Drug Name

N,N-diethyl-2-(1H-indol-3-yl)ethanamine

Synonyms

Diethyltryptamine; N,N-Diethyltryptamine; 61-51-8; N,N-Diethyl-2-(1H-indol-3-yl)ethanamine; 3-(2-Diethylaminoethyl)indole; UNII-916E8V4S2V; INDOLE, 3-(2-(DIETHYLAMINO)ETHYL)-; BRN 0153320; D.E.T.; CHEMBL142936; DEA No. 7434; 916E8V4S2V; 1H-Indole-3-ethanamine, N,N-diethyl-; AC1L1LS6; Oprea1_105894; 5-22-10-00050 (Beilstein Handbook Reference); SCHEMBL517713; DTXSID9052763; CTK5B3364; LSSUMOWDTKZHHT-UHFFFAOYSA-N; ZINC1999162; BDBM50094676; STK368075; AKOS005444987; 1H-Indole-3-ethanamine,N,N-diethyl-; 63938-63-6 (mono-hydrochloride)

Indication

Disease Entry	ICD 11	Status	REF
Discovery agent	N.A.	Investigative	[1]
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Drug Type

Small molecular drug

Structure

3D MOL

2D MOL

#Ro5 Violations (Lipinski): 0

Molecular Weight (mw)

216.32

Logarithm of the Partition Coefficient (xlogp)

3.3

Rotatable Bond Count (rotbonds)

5

Hydrogen Bond Donor Count (hbonddonor)

1

Hydrogen Bond Acceptor Count (hbondacc)

1

Chemical Identifiers

Formula: C14H20N2
IUPAC Name: N,N-diethyl-2-(1H-indol-3-yl)ethanamine
Canonical SMILES: CCN(CC)CCC1=CNC2=CC=CC=C21
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
InChIKey: LSSUMOWDTKZHHT-UHFFFAOYSA-N