General Information of the Compound
| Compound ID |
CP0181667
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
N-[[5-bromo-2-[(4-chlorophenyl)methoxy]phenyl]methyl]ethanamine
Show/Hide
|
||||||||||||||||||
| Synonyms |
AC1NFZZ9
AKOS002615028
BDBM50205773
Benzenemethanamine, 5-bromo-2-[(4-chlorophenyl)methoxy]-N-ethyl-
CHEMBL233385
MCULE-5007100183
N-(2-(4-chlorobenzyloxy)-5-bromobenzyl)ethanamine
N-[[5-bromo-2-[(4-chlorophenyl)methoxy]phenyl]methyl]ethanamine
SCHEMBL5700011
ZINC8227211
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C16H17BrClNO
|
||||||||||||||||||
| Molecular Weight |
354.675
|
||||||||||||||||||
| Canonical SMILES |
CCNCc1cc(Br)ccc1OCc1ccc(Cl)cc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C16H17BrClNO/c1-2-19-10-13-9-14(17)5-8-16(13)20-11-12-3-6-15(18)7-4-12/h3-9,19H,2,10-11H2,1H3
Show/Hide
|
||||||||||||||||||
| InChIKey |
ORVDFXFQIBURPI-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
Clinical Information about the Compound