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

Details

Stereochemistry RACEMIC
Molecular Formula C12H17NO2
Molecular Weight 207.2689
Optical Activity ( + / - )
Defined Stereocenters 0 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of METHYL-J

SMILES

CCC(CC1=CC2=C(OCO2)C=C1)NC

InChI

InChIKey=USWVWJSAJAEEHQ-UHFFFAOYSA-N
InChI=1S/C12H17NO2/c1-3-10(13-2)6-9-4-5-11-12(7-9)15-8-14-11/h4-5,7,10,13H,3,6,8H2,1-2H3

HIDE SMILES / InChI

Molecular Formula C12H17NO2
Molecular Weight 207.2689
Charge 0
Count
Stereochemistry RACEMIC
Additional Stereochemistry No
Defined Stereocenters 0 / 1
E/Z Centers 0
Optical Activity ( + / - )

Approval Year

Targets
PubMed

PubMed

TitleDatePubMed
Neuroendocrine pharmacology of three serotonin releasers: 1-(1,3-benzodioxol-5-yl)-2-(methylamino)butane (MBDB), 5-methoxy-6-methyl-2-aminoindan (MMAi) and p-methylthioamphetamine (MTA).
1996 Dec
Substance Class Chemical
Created
by admin
on Sat Dec 16 10:14:36 GMT 2023
Edited
by admin
on Sat Dec 16 10:14:36 GMT 2023
Record UNII
E8HMQ4F9JQ
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
METHYL-J
Common Name English
N-METHYL-1-(3,4-METHYLENEDIOXYPHENYL)-2-BUTANAMINE
Systematic Name English
J360.170F
Code English
EDEN
Common Name English
N-METHYL-1-(1,3-BENZODIOXOL-5-YL)-2-BUTYLAMINE
Systematic Name English
3,4-methylenedioxy-N-methyl-α-ethylphenylethylamine
Systematic Name English
N-METHYL-1,3-BENZODIOXOLYLBUTANAMINE
Systematic Name English
1,3-BENZODIOXOLYL-N-METHYLBUTANAMINE
Systematic Name English
N-METHYL-1-(1,3-BENZODIOXOL-5-YL)-2-BUTANAMINE
Systematic Name English
1,3-BENZODIOXOLE-5-ETHANAMINE, .ALPHA.-ETHYL-N-METHYL-
Systematic Name English
MBDB
Common Name English
Classification Tree Code System Code
WIKIPEDIA PiHKAL
Created by admin on Sat Dec 16 10:14:37 GMT 2023 , Edited by admin on Sat Dec 16 10:14:37 GMT 2023
WIKIPEDIA Designer-drugs-MBDB
Created by admin on Sat Dec 16 10:14:37 GMT 2023 , Edited by admin on Sat Dec 16 10:14:37 GMT 2023
Code System Code Type Description
FDA UNII
E8HMQ4F9JQ
Created by admin on Sat Dec 16 10:14:37 GMT 2023 , Edited by admin on Sat Dec 16 10:14:37 GMT 2023
PRIMARY
CAS
103818-46-8
Created by admin on Sat Dec 16 10:14:37 GMT 2023 , Edited by admin on Sat Dec 16 10:14:37 GMT 2023
SUPERSEDED
WIKIPEDIA
1,3-BENZODIOXOLYL-N-METHYLBUTANAMINE
Created by admin on Sat Dec 16 10:14:37 GMT 2023 , Edited by admin on Sat Dec 16 10:14:37 GMT 2023
PRIMARY
EPA CompTox
DTXSID70894039
Created by admin on Sat Dec 16 10:14:37 GMT 2023 , Edited by admin on Sat Dec 16 10:14:37 GMT 2023
PRIMARY
CAS
135795-90-3
Created by admin on Sat Dec 16 10:14:37 GMT 2023 , Edited by admin on Sat Dec 16 10:14:37 GMT 2023
PRIMARY
PUBCHEM
124844
Created by admin on Sat Dec 16 10:14:37 GMT 2023 , Edited by admin on Sat Dec 16 10:14:37 GMT 2023
PRIMARY
SMS_ID
300000005482
Created by admin on Sat Dec 16 10:14:37 GMT 2023 , Edited by admin on Sat Dec 16 10:14:37 GMT 2023
PRIMARY
Related Record Type Details
ENANTIOMER -> RACEMATE
SALT/SOLVATE -> PARENT
ENANTIOMER -> RACEMATE
Related Record Type Details
ACTIVE MOIETY