BAMETHAN

Search structure
Synonyms:
Status: Approved
Entry Type: Small molecule
Molecule Category: UNKNOWN
ATC: C04AA31
UNII: Y08ZFJ9TFK

Structure
InChI Key RDUHXGIIUDVSHR-UHFFFAOYSA-N
Smile CCCCNCC(O)c1ccc(O)cc1
InChI
InChI=1S/C12H19NO2/c1-2-3-8-13-9-12(15)10-4-6-11(14)7-5-10/h4-7,12-15H,2-3,8-9H2,1H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C12H19NO2
Molecular Weight 209.29
AlogP 1.82
Hydrogen Bond Acceptor 3.0
Hydrogen Bond Donor 3.0
Number of Rotational Bond 6.0
Polar Surface Area 52.49
Molecular species BASE
Aromatic Rings 1.0
Heavy Atoms 15.0

Cross References

Resources Reference
ChEMBL CHEMBL1987462
DrugBank DB13206
DrugCentral 286
EPA CompTox DTXSID5046144
FDA SRS Y08ZFJ9TFK
PubChem 2292
SureChEMBL SCHEMBL120958
CONTENTS