Synonyms:
Status: Approved (1960)
Entry Type: Small molecule
Molecule Category: UNKNOWN
UNII: 0M3S43XK27

Structure

InChI Key YXKTVDFXDRQTKV-HNNXBMFYSA-N
Smile C[C@@H](Cc1ccccc1)N(C)Cc1ccccc1
InChI
InChI=1S/C17H21N/c1-15(13-16-9-5-3-6-10-16)18(2)14-17-11-7-4-8-12-17/h3-12,15H,13-14H2,1-2H3/t15-/m0/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C17H21N
Molecular Weight 239.36
AlogP 3.75
Hydrogen Bond Acceptor 1.0
Hydrogen Bond Donor 0.0
Number of Rotational Bond 5.0
Polar Surface Area 3.24
Molecular species BASE
Aromatic Rings 2.0
Heavy Atoms 18.0

Related Entries

Scaffolds

Cross References

Resources Reference
ChEBI 3044
ChEMBL CHEMBL3545985
DrugBank DB00865
DrugCentral 329
EPA CompTox DTXSID4022656
FDA SRS 0M3S43XK27
Human Metabolome Database HMDB0015003
PubChem 5311017
SureChEMBL SCHEMBL49120
ZINC ZINC000000968305