General Information of the Compound
Compound ID
CP0102182
Compound Name
4-(2-aminoethyl)phenol
    Show/Hide
Synonyms
p-tyramine
2-(4-Hydroxyphenyl)ethylamine
2-(p-Hydroxyphenyl)ethylamine
4-(2-Aminoethyl)phenol
4-Hydroxyphenethylamine
4-Hydroxyphenylethylamine
51-67-2
Benzeneethanamine, 4-hydroxy-
NSC 249188
Phenethylamine, p-hydroxy-
Phenol, 4-(2-aminoethyl)-
Phenol, p-(2-aminoethyl)-
Systogene
Tenosin-wirkstoff
Tocosine
Tyramin
Tyramine
Tyramine base
Tyrosamine
Uteramine
[3H]tyramine
beta-Hydroxyphenylethylamine
p-(2-Aminoethyl)phenol
p-Hydroxyphenethylamine
p-Hydroxyphenylethylamine
p-Tyramine
p-beta-Aminoethylphenol
tyramine
    Show/Hide
Structure
Formula
C8H11NO
Molecular Weight
137.182
Canonical SMILES
NCCc1ccc(O)cc1
    Show/Hide
InChI
InChI=1S/C8H11NO/c9-6-5-7-1-3-8(10)4-2-7/h1-4,10H,5-6,9H2
    Show/Hide
InChIKey
DZGWFCGJZKJUFP-UHFFFAOYSA-N
CAS
51-67-2
Physicochemical Property
logP
0.8934
Rotatable Bonds
2
Heavy Atom Count
10
Polar Areas
46.25
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
2
Complexity
10

"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).

    Show/Hide
Click to Show/Hide the External Link(s) of This Compound
PubChem ID
CID: 5610
SID: 15321440
ChEMBL ID
CHEMBL11608
DrugBank ID
DB08841
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: PT00918, Amine oxidase [flavin-containing] A
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000023 BTI-Tn-5B1-4 Trichoplusia ni (Cabbage looper)  1
1
Km = 514000 nM
   TI
   LI
   LO
   TS
Protein ID: PT01362, Amine oxidase [flavin-containing] B
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000023 BTI-Tn-5B1-4 Trichoplusia ni (Cabbage looper)  1
1
Km = 104700 nM
   TI
   LI
   LO
   TS
Protein ID: PT04763, Trace amine-associated receptor 1
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000026 CHO-K1 Cricetulus griseus (Chinese hamster)  2
1
EC50 = 76 nM
   TI
   LI
   LO
   TS
2
EC50 = 731 nM
   TI
   LI
   LO
   TS
Clinical Information about the Compound
Drug 1 ( tyramine )
Drug Name tyramine
Target(s)
Trace amine-associated receptor-1 (TAAR1)
Agonist