General Information of the Compound
Compound ID
CP0088232
Compound Name
N,N-diethyl-2-(1H-indol-3-yl)ethanamine
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Synonyms
1H-Indole-3-ethanamine, N,N-diethyl-
1H-Indole-3-ethanamine,N,N-diethyl-
3-(2-Diethylaminoethyl)indole
5-22-10-00050 (Beilstein Handbook Reference)
61-51-8
63938-63-6 (mono-hydrochloride)
916E8V4S2V
AC1L1LS6
AKOS005444987
BDBM50094676
BRN 0153320
CHEMBL142936
CTK5B3364
D.E.TDEA No. 7434
DTXSID9052763
Diethyltryptamine
INDOLE, 3-(2-(DIETHYLAMINO)ETHYL)-
LSSUMOWDTKZHHT-UHFFFAOYSA-N
N,N-Diethyl-2-(1H-indol-3-yl)ethanamine
N,N-Diethyltryptamine
N,N-diethyl-2-(1H-indol-3-yl)ethanamine
Oprea1_105894
SCHEMBL517713
STK368075
UNII-916E8V4S2V
ZINC1999162
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Structure
Formula
C14H20N2
Molecular Weight
216.328
Canonical SMILES
CCN(CC)CCc1c[nH]c2ccccc12
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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
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InChIKey
LSSUMOWDTKZHHT-UHFFFAOYSA-N
Physicochemical Property
logP
3.0522
Rotatable Bonds
5
Heavy Atom Count
16
Polar Areas
19.03
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
1
Complexity
16

"RO5" indicates the cutoff set by lipinski's rule of five:

(1) Molecular weight less than 500 Dalton;

(2) xlogp less than 5;

(3) No more than 5 hbonddonor (Hydrogen Bond Donor Count);

(4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count);

(5) No more than 10 rotbonds (Rotatable Bond Count).

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PubChem ID
CID: 6090
SID: 15488481
ChEMBL ID
CHEMBL142936
DrugBank ID
DB01460
Map of Molecular Bioactivity Related to the Compound
Map of Molecular Bioactivity Related to the Compound

Compound
Cell Line
Protein

Bioactivity Value:

<= 0.1 μM
> 0.1 μM and <= 10 μM
> 10 μM
Imprecise Activity
Table of Molecular Bioactivities Related to the Compound
Protein ID: PT01354, 5-hydroxytryptamine receptor 6
 Protein Info 
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000006 HEK293
 Cell Line Info 
Homo sapiens (Human)  1
1
Ki = 575 nM
 Bioactivity Info 
   TI
   LI
   LO
   TS
Clinical Information about the Compound
Drug 1 ( N,N-diethyl-2-(1H-indol-3-yl)ethanamine )
Drug Name N,N-diethyl-2-(1H-indol-3-yl)ethanamine
Target(s)
5-HT 6 receptor (HTR6)
 Target Info 
Inhibitor