General Information of the Compound
Compound ID
CP0069200
Compound Name
1H-indole-3-ethanamine
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Synonyms
(Amino-2 ethyl)-3 indole
(Amino-2 ethyl)-3 indole [French]
1H-Indole-3-ethanamine
2-(1H-INDOL-3-YL)-ETHYLAMINE
2-(1H-Indol-3-Yl)Ethan-1-Amine
2-(1H-Indol-3-yl)ethanamine
2-(1H-indol-3-yl)ethylamine
2-(3-Indolyl)ethylamine
2-(Indol-3-yl)ethylamine
2-Indol-3-ylethylamine
3-(2-aminoethyl)indole
3-Indoleethylamine
422ZU9N5TV
61-54-1
APJYDQYYACXCRM-UHFFFAOYSA-N
BRN 0125513
CHEBI:16765
CHEMBL6640
EINECS 200-510-5
Indol-3-ethylamine
Indole, 3-(2-aminoethyl)-
TRYPTAMINE
Tryptamin
Tryptamine, 98%
UNII-422ZU9N5TV
tryptamine
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Structure
Formula
C10H12N2
Molecular Weight
160.22
Canonical SMILES
NCCc1c[nH]c2ccccc12
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InChI
InChI=1S/C10H12N2/c11-6-5-8-7-12-10-4-2-1-3-9(8)10/h1-4,7,12H,5-6,11H2
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InChIKey
APJYDQYYACXCRM-UHFFFAOYSA-N
CAS
61-54-1
Physicochemical Property
logP
1.6691
Rotatable Bonds
2
Heavy Atom Count
12
Polar Areas
41.81
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
1
Complexity
12

"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: 1150
SID: 14891690
ChEMBL ID
CHEMBL6640
DrugBank ID
DB08653
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 = 180 nM
 Bioactivity Info 
   TI
   LI
   LO
   TS
Biochemical Assays
1 Ki = 70 nM
Protein ID: PT06109, Geminin
 Protein Info 
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000015 SW480
 Cell Line Info 
Homo sapiens (Human)  1
1
Potency ~ 6513.1 nM
 Bioactivity Info 
   TI
   LI
   LO
   TS
Protein ID: PT04763, Trace amine-associated receptor 1
 Protein Info 
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000026 CHO-K1
 Cell Line Info 
Cricetulus griseus (Chinese hamster)  1
1
EC50 = 2210 nM
 Bioactivity Info 
   TI
   LI
   LO
   TS
Clinical Information about the Compound
Drug 1 ( TRYPTAMINE )
Drug Name TRYPTAMINE
Target(s)
Monoamine oxidase type B (MAO-B)
 Target Info 
Inhibitor
Monoamine oxidase type A (MAO-A)
 Target Info 
Inhibitor
5-HT 2A receptor (HTR2A)
 Target Info 
Inhibitor