U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS

Details

Stereochemistry RACEMIC
Molecular Formula C13H18N2O
Molecular Weight 218.2948
Optical Activity ( + / - )
Defined Stereocenters 0 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of RO-3-1914

SMILES

CNC(C)CC1=CNC2=CC=C(OC)C=C12

InChI

InChIKey=IYEMYZOLBLHKFE-UHFFFAOYSA-N
InChI=1S/C13H18N2O/c1-9(14-2)6-10-8-15-13-5-4-11(16-3)7-12(10)13/h4-5,7-9,14-15H,6H2,1-3H3

HIDE SMILES / InChI

Molecular Formula C13H18N2O
Molecular Weight 218.2948
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 Sat Dec 16 19:04:19 GMT 2023
Edited
by admin
on Sat Dec 16 19:04:19 GMT 2023
Record UNII
PJ8WT93MNQ
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
RO-3-1914
Code English
1H-INDOLE-3-ETHANAMINE, 5-METHOXY-N,.ALPHA.-DIMETHYL-
Systematic Name English
(2-(5-METHOXY-INDOL-3-YL)-1-METHYL-ETHYL)-METHYL-AMINE
Systematic Name English
ALPHA,N,O-TMS
Common Name English
(1-(5-METHOXY-1H-INDOL-3-YL)PROPAN-2-YL)(METHYL)AMINE
Systematic Name English
5-METHOXY-N,.ALPHA.-DIMETHYL-1H-INDOLE-3-ETHANAMINE
Systematic Name English
1-(5-METHOXY-1H-INDOL-3-YL)-N-METHYLPROPAN-2-AMINE
Systematic Name English
Classification Tree Code System Code
WIKIPEDIA TiHKAL
Created by admin on Sat Dec 16 19:04:19 GMT 2023 , Edited by admin on Sat Dec 16 19:04:19 GMT 2023
Code System Code Type Description
PUBCHEM
20961
Created by admin on Sat Dec 16 19:04:19 GMT 2023 , Edited by admin on Sat Dec 16 19:04:19 GMT 2023
PRIMARY
CAS
4822-13-3
Created by admin on Sat Dec 16 19:04:19 GMT 2023 , Edited by admin on Sat Dec 16 19:04:19 GMT 2023
PRIMARY
FDA UNII
PJ8WT93MNQ
Created by admin on Sat Dec 16 19:04:19 GMT 2023 , Edited by admin on Sat Dec 16 19:04:19 GMT 2023
PRIMARY
EPA CompTox
DTXSID60964033
Created by admin on Sat Dec 16 19:04:19 GMT 2023 , Edited by admin on Sat Dec 16 19:04:19 GMT 2023
PRIMARY
Related Record Type Details
SALT/SOLVATE -> PARENT