NIP   

GtoPdb Ligand ID: 546

Synonyms: N-isopropyl-phenoxypropanolamine
Compound class: Synthetic organic
2D Structure
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Physico-chemical Properties
Hydrogen bond acceptors 2
Hydrogen bond donors 2
Rotatable bonds 6
Topological polar surface area 41.49
Molecular weight 209.14
XLogP 1.76
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
Canonical SMILES OC(COc1ccccc1)CNC(C)C
Isomeric SMILES OC(COc1ccccc1)CNC(C)C
InChI InChI=1S/C12H19NO2/c1-10(2)13-8-11(14)9-15-12-6-4-3-5-7-12/h3-7,10-11,13-14H,8-9H2,1-2H3
InChI Key ONXLHKFGTDDVLQ-UHFFFAOYSA-N
Classification
Compound class Synthetic organic
IUPAC Name
1-(phenoxy)-3-(propan-2-ylamino)propan-2-ol
Synonyms
N-isopropyl-phenoxypropanolamine
Database Links
BindingDB Ligand 50169785
CAS Registry No. 7695-63-8 (source: Scifinder)
ChEMBL Ligand CHEMBL7154
GtoPdb PubChem SID 135650720
PubChem CID 3123920
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