Synonyms
Status
Molecule Category UNKNOWN
UNII 8E92V52324
EPA CompTox DTXSID1048837

Structure

InChI Key QNEXFJFTGQBXBJ-UHFFFAOYSA-N
Smiles CC(COc1ccccc1)NN
InChI
InChI=1S/C9H14N2O/c1-8(11-10)7-12-9-5-3-2-4-6-9/h2-6,8,11H,7,10H2,1H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C9H14N2O
Molecular Weight 166.22
AlogP 0.92
Hydrogen Bond Acceptor 3.0
Hydrogen Bond Donor 2.0
Number of Rotational Bond 4.0
Polar Surface Area 47.28
Molecular species NEUTRAL
Aromatic Rings 1.0
Heavy Atoms 12.0

Bioactivity

Mechanism of Action Action Reference
Monoamine oxidase inhibitor INHIBITOR PubMed PubMed PubMed PubMed
Protein: Monoamine oxidase

Description: Amine oxidase [flavin-containing] A

Organism : Homo sapiens

P21397 ENSG00000189221
Protein: Monoamine oxidase

Description: Amine oxidase [flavin-containing] B

Organism : Homo sapiens

P27338 ENSG00000069535

Cross References

Resources Reference
ChEBI 134799
ChEMBL CHEMBL1909286
DrugBank DB09251
DrugCentral 3814
FDA SRS 8E92V52324
PubChem 71467
SureChEMBL SCHEMBL147198