General Information of the Compound
Compound ID
CP0004440
Compound Name
2-phenyl-2-(4-phenylphenyl)ethanamine
    Show/Hide
Structure
Formula
C20H19N
Molecular Weight
273.379
Canonical SMILES
NCC(c1ccccc1)c1ccc(cc1)-c1ccccc1
    Show/Hide
InChI
InChI=1S/C20H19N/c21-15-20(18-9-5-2-6-10-18)19-13-11-17(12-14-19)16-7-3-1-4-8-16/h1-14,20H,15,21H2
    Show/Hide
InChIKey
REEGNXUZOAFZKE-UHFFFAOYSA-N
Physicochemical Property
logP
4.4442
Rotatable Bonds
4
Heavy Atom Count
21
Polar Areas
26.02
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
1
Complexity
21

"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: 44719858
ChEMBL ID
CHEMBL1831046
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: PT03245, Acetylcholine-binding protein
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000013 Sf9 Spodoptera frugiperda (Fall armyworm)  1
1
Ki = 12589.25 nM
   TI
   LI
   LO
   TS
Protein ID: PT01846, Neuronal acetylcholine receptor subunit alpha-7
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000004 SH-SY5Y Homo sapiens (Human)  1
1
Ki >= 31622.78 nM
   TI
   LI
   LO
   TS