Methyl-J hydrochloride

Details

Stereochemistry	RACEMIC
Molecular Formula	C12H17NO2.ClH
Molecular Weight	243.73
Optical Activity	( + / - )
Defined Stereocenters	0 / 1
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

Cl.CCC(CC1=CC=C2OCOC2=C1)NC

InChI

InChIKey=LFXXIXAVEJVYGY-UHFFFAOYSA-N

InChI=1S/C12H17NO2.ClH/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;1H

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	( + / - )

Molecular Formula	ClH
Molecular Weight	36.461
Charge	0
Count

Stereochemistry	ACHIRAL
Additional Stereochemistry	No
Defined Stereocenters	0 / 0
E/Z Centers	0
Optical Activity	NONE

Approval Year

Targets

Primary Target	Pharmacology	Potency
Serotonin transporter 183 Target ID: CHEMBL228 Sources: https://www.ncbi.nlm.nih.gov/pubmed/22897747	Inhibitor 8504	2.04 µM [IC50]
Norepinephrine transporter 197 Target ID: CHEMBL222 Sources: https://www.ncbi.nlm.nih.gov/pubmed/22897747	Inhibitor 8504	2.8 µM [IC50]
Serotonin 2a (5-HT2a) receptor 237 Target ID: CHEMBL224 Sources: https://www.ncbi.nlm.nih.gov/pubmed/22897747 \| https://www.ncbi.nlm.nih.gov/pubmed/20575841	Agonist 2752	6.62 µM [Ki]

PubMed

Title	Date	PubMed
PMMA-stimulus generalization to the optical isomers of MBDB and 3,4-DMA.	2001-06-23	11420094
N-methyl-1-(1,3-benzodioxol-5-yl)-2-butanamine (MBDB): its properties and possible risks.	2000-07-01	20575841
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).	1996-12	8968349

Substance Class	Chemical Created by `admin` on `Wed Apr 02 16:03:16 GMT 2025` Edited by `admin` on `Wed Apr 02 16:03:16 GMT 2025`
Record UNII	32MEB99FFS
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

MBDB hydrochloride

Preferred Name

English

Methyl-J hydrochloride

Common Name

English

3,4-methylenedioxy-N-methyl-?-ethylphenylethylamine hydrochloride

Systematic Name

English

1,3-Benzodioxole-5-ethanamine, ?-ethyl-N-methyl-, hydrochloride

Systematic Name

English

1,3-Benzodioxole-5-ethanamine, ?-ethyl-N-methyl-, hydrochloride (1:1)

Systematic Name

English

1,3-Benzodioxolyl-N-methylbutanamine hydrochloride

Systematic Name

English

N-methyl-1,3-benzodioxolylbutanamine hydrochloride

Systematic Name

English

?-Ethyl-N-methyl-1,3-benzodioxole-5-ethanamine hydrochloride (1:1)

Systematic Name

English

Code System Code Type Description

PUBCHEM

14545215

Created by admin on Wed Apr 02 16:03:16 GMT 2025 , Edited by admin on Wed Apr 02 16:03:16 GMT 2025

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CAS

128767-12-4

Created by admin on Wed Apr 02 16:03:16 GMT 2025 , Edited by admin on Wed Apr 02 16:03:16 GMT 2025

PRIMARY

FDA UNII

32MEB99FFS

Created by admin on Wed Apr 02 16:03:16 GMT 2025 , Edited by admin on Wed Apr 02 16:03:16 GMT 2025

PRIMARY

EPA CompTox

DTXSID40561483

Created by admin on Wed Apr 02 16:03:16 GMT 2025 , Edited by admin on Wed Apr 02 16:03:16 GMT 2025

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Related Record Type Details


					E8HMQ4F9JQ

METHYL-J

PARENT -> SALT/SOLVATE

Amount: