compound 4 [Brinkman et al., 1996]

Ligand id: 3097

Name: compound 4 [Brinkman et al., 1996]

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 1
Hydrogen bond donors 1
Rotatable bonds 10
Topological polar surface area 30.49
Molecular weight 361.2
XLogP 8.42
No. Lipinski's rules broken 1

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
IUPAC Name
{2-[4-(benzyloxy)phenoxy]ethyl}(2-phenylpropyl)amine
Database Links
ChEMBL Ligand CHEMBL312125
GtoPdb PubChem SID 135649693
PubChem CID 9928892
Search Google for chemical match using the InChIKey MDMYMJUIQIOGGF-UHFFFAOYSA-N
Search Google for chemicals with the same backbone MDMYMJUIQIOGGF
Search UniChem for chemical match using the InChIKey MDMYMJUIQIOGGF-UHFFFAOYSA-N
Search UniChem for chemicals with the same backbone MDMYMJUIQIOGGF