Synonyms:
Status: Approved (1976)
Entry Type: Small molecule
Molecule Category: Parent
UNII: AB2794W8KV

Structure

InChI Key MFOCDFTXLCYLKU-UHFFFAOYSA-N
Smile CC1C(c2ccccc2)OCCN1C
InChI
InChI=1S/C12H17NO/c1-10-12(14-9-8-13(10)2)11-6-4-3-5-7-11/h3-7,10,12H,8-9H2,1-2H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C12H17NO
Molecular Weight 191.27
AlogP 2.08
Hydrogen Bond Acceptor 2.0
Hydrogen Bond Donor 0.0
Number of Rotational Bond 1.0
Polar Surface Area 12.47
Molecular species NEUTRAL
Aromatic Rings 1.0
Heavy Atoms 14.0

Pharmacology

Related Entries

Salt

Cross References

Resources Reference
CAS NUMBER 634-03-7
ChEBI 8059
ChEMBL CHEMBL1615439
DrugBank DB01579
DrugCentral 2122
FDA SRS AB2794W8KV
KEGG C07904
PubChem 30487
SureChEMBL SCHEMBL598950
ZINC ZINC000022010387