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Details

Stereochemistry ACHIRAL
Molecular Formula C18H19NO3
Molecular Weight 297.3484
Optical Activity ( + / - )
Defined Stereocenters 0 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 1-(1,3-BENZODIOXOL-5-YL)-2-(BENZYLAMINO)BUTAN-1-ONE

SMILES

CCC(NCC1=CC=CC=C1)C(=O)C2=CC=C3OCOC3=C2

InChI

InChIKey=ROBPFIVMZCNMJW-UHFFFAOYSA-N
InChI=1S/C18H19NO3/c1-2-15(19-11-13-6-4-3-5-7-13)18(20)14-8-9-16-17(10-14)22-12-21-16/h3-10,15,19H,2,11-12H2,1H3

HIDE SMILES / InChI

Molecular Formula C18H19NO3
Molecular Weight 297.3484
Charge 0
Count
Stereochemistry RACEMIC
Additional Stereochemistry No
Defined Stereocenters 0 / 1
E/Z Centers 0
Optical Activity ( + / - )

Approval Year

Substance Class Chemical
Created
by admin
on Mon Mar 31 23:05:55 GMT 2025
Edited
by admin
on Mon Mar 31 23:05:55 GMT 2025
Record UNII
N8HNA3G8CC
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
1-(1,3-BENZODIOXOL-5-YL)-2-((PHENYLMETHYL)AMINO)-1-BUTANONE
Preferred Name English
1-(1,3-BENZODIOXOL-5-YL)-2-(BENZYLAMINO)BUTAN-1-ONE
Systematic Name English
1-BUTANONE, 1-(1,3-BENZODIOXOL-5-YL)-2-((PHENYLMETHYL)AMINO)-
Systematic Name English
Code System Code Type Description
PUBCHEM
129318259
Created by admin on Mon Mar 31 23:05:55 GMT 2025 , Edited by admin on Mon Mar 31 23:05:55 GMT 2025
PRIMARY
CAS
1445751-47-2
Created by admin on Mon Mar 31 23:05:55 GMT 2025 , Edited by admin on Mon Mar 31 23:05:55 GMT 2025
PRIMARY
FDA UNII
N8HNA3G8CC
Created by admin on Mon Mar 31 23:05:55 GMT 2025 , Edited by admin on Mon Mar 31 23:05:55 GMT 2025
PRIMARY
EPA CompTox
DTXSID401342518
Created by admin on Mon Mar 31 23:05:55 GMT 2025 , Edited by admin on Mon Mar 31 23:05:55 GMT 2025
PRIMARY
Related Record Type Details
SALT/SOLVATE -> PARENT