NE-100

Ligand id: 6679

Name: NE-100

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 1
Hydrogen bond donors 0
Rotatable bonds 12
Topological polar surface area 21.7
Molecular weight 355.25
XLogP 7.06
No. Lipinski's rules broken 2

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
IUPAC Name
N-[2-[4-methoxy-3-(2-phenylethoxy)phenyl]ethyl]-N-propylpropan-1-amine
Synonyms
NE100
Database Links
CAS Registry No. 149860-29-7 (source: Scifinder)
ChEMBL Ligand CHEMBL190883
PubChem CID 9841596
Search Google for chemical match using the InChIKey YBLIQJGXRLZBCZ-UHFFFAOYSA-N
Search Google for chemicals with the same backbone YBLIQJGXRLZBCZ
Search UniChem for chemical match using the InChIKey YBLIQJGXRLZBCZ-UHFFFAOYSA-N
Search UniChem for chemicals with the same backbone YBLIQJGXRLZBCZ
Wikipedia NE-100