METHYL-J

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 Search

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

Primary Target	Pharmacology	Potency
Serotonin transporter 178 Target ID: CHEMBL228 Sources: https://www.ncbi.nlm.nih.gov/pubmed/22897747	Inhibitor 8297	2.04 µM [IC50]
Norepinephrine transporter 191 Target ID: CHEMBL222 Sources: https://www.ncbi.nlm.nih.gov/pubmed/22897747	Inhibitor 8297	2.8 µM [IC50]
Serotonin 2a (5-HT2a) receptor 231 Target ID: CHEMBL224 Sources: https://www.ncbi.nlm.nih.gov/pubmed/22897747 \| https://www.ncbi.nlm.nih.gov/pubmed/20575841	Agonist 2678	6.62 µM [Ki]

PubMed

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

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

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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