General Information of the Compound
| Compound ID |
CP0297087
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
3-(2-Benzylamino-ethoxy)-phenol
Show/Hide
|
||||||||||||||||||
| Synonyms |
3-(2-Benzylamino-ethoxy)-phenol
3-[2-(benzylamino)ethoxy]phenol
CHEMBL64508
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C15H17NO2
|
||||||||||||||||||
| Molecular Weight |
243.306
|
||||||||||||||||||
| Canonical SMILES |
Oc1cccc(OCCNCc2ccccc2)c1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C15H17NO2/c17-14-7-4-8-15(11-14)18-10-9-16-12-13-5-2-1-3-6-13/h1-8,11,16-17H,9-10,12H2
Show/Hide
|
||||||||||||||||||
| InChIKey |
VBTFJGYCISLKEQ-UHFFFAOYSA-N
|
||||||||||||||||||
| Physicochemical Property |
"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 | |||||||||||||||||||
| ChEMBL ID | |||||||||||||||||||
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: PT01005, D(2) dopamine receptor
Protein ID: PT00943, D(3) dopamine receptor
Protein ID: PT01161, D(4) dopamine receptor
Clinical Information about the Compound