3,4-Dimethoxyphenethylamine

Details

• Internal ID: 21d62a80-2683-428f-9467-911125f8ab84
• Taxonomy: Benzenoids > Benzene and substituted derivatives > Methoxybenzenes > Dimethoxybenzenes
• IUPAC Name: 2-(3,4-dimethoxyphenyl)ethanamine
• SMILES (Canonical): COC1=C(C=C(C=C1)CCN)OC
• SMILES (Isomeric): COC1=C(C=C(C=C1)CCN)OC
• InChI: InChI=1S/C10H15NO2/c1-12-9-4-3-8(5-6-11)7-10(9)13-2/h3-4,7H,5-6,11H2,1-2H3
• InChI Key: ANOUKFYBOAKOIR-UHFFFAOYSA-N
• Popularity: 496 references in papers

Physical and Chemical Properties

• Molecular Formula: C₁₀H₁₅NO₂
• Molecular Weight: 181.23 g/mol
• Exact Mass: 181.110278721 g/mol
• Topological Polar Surface Area (TPSA): 44.50 Ų
• XlogP: 0.80

Synonyms

• 120-20-7
• Homoveratrylamine
• 2-(3,4-Dimethoxyphenyl)ethanamine
• 3,4-Dimethoxyphenylethylamine
• 2-(3,4-Dimethoxyphenyl)ethylamine
• Benzeneethanamine, 3,4-dimethoxy-
• Dimethoxyphenylethylamine
• Dimethoxydopamine
• Dimethylmescaline
• DMPEA
• Dopamine dimethyl ether
• DIMPEA
• O,O-Dimethyldopamine
• 3,4-Dimethoxybenzeneethanamine
• 3,4-Di-O-methyldopamine
• 3,4-Dimethoxydopamine
• 3,4-Dimethoxy-beta-phenylethylamine
• 3,4-Dimethoxyphenylethylamine(base)
• beta-(3,4-Dimethyoxyphenyl)ethylamine
• 3,4-Dimethoxy phenethylamine
• 2-(3,4-dimethoxyphenyl)-ethylamine
• 2-(3,4-Dimethoxy-phenyl)-ethylamine
• 2-(3,4-Dimethoxyphenyl)Ethan-1-Amine
• NSC 16948
• 3,4-dimethoxy phenylethylamine
• PHENETHYLAMINE, 3,4-DIMETHOXY-
• CHEBI:136995
• 3,4-Dimethoxy-.beta.-phenylethylamine
• 3,4-Dimethoxypheneethylamine
• IQF9T435OP
• 3,4-dimethyloxyphenylethylamine
• NSC-6328
• 3,4-Dimethoxy-.beta.-phenethylamine
• beta-(3,4-Dimethoxyphenyl)ethylamine
• NSC-16948
• NSC-26152
• .beta.-(3,4-Dimethoxyphenyl)ethylamine
• Phenethylamine,4-dimethoxy-
• Benzeneethanamine,4-dimethoxy-
• WLN: Z2R CO1 DO1
• SMR000112358
• EINECS 204-376-9
• MFCD00008188
• 3,4-Dimethoxyphenylethylamine (base)
• UNII-IQF9T435OP
• BRN 0474393
• AI3-23876
• homoveratryl amine
• 3,4-DIMETHOXY-PHENETHYLAMINE
• HOMOVERATRILAMINE
• DOPAMINE IMPURITY C
• Epitope ID:119694
• EC 204-376-9
• NCIOpen2_005995
• Oprea1_397610
• 3, 4-Dimethoxyphenethylamine
• 3,4-dimethoxyphenethyl amine
• 4-13-00-02604 (Beilstein Handbook Reference)
• Dopamine Impurity C (3,4-Dimethoxyphenethylamine)
• MLS000515889
• MLS001424180
• CHEMBL26019
• SCHEMBL210639
• 3,4-di-methoxy-phenethylamine
• 3,4-dimethyoxyphenylethylamine
• 3,4-dimethoxy-phenylethylamine
• 3,4-Dimethoxy-Benzenethanamine
• SCHEMBL7319619
• 3, 4-Dimethoxybenzeneethanamine
• b-3,4-dimethoxyphenylethylamine
• 3,4-Dimethoxy-Benzeneethanamine
• DTXSID8059506
• Phenethyl amine, 3,4-dimethoxy
• NSC6328
• 2(3,4-dimethoxyphenyl)ethylamine
• Benzenethanamine, 3,4-dimethoxy-
• 3,4-Dimethoxy-beta-phenethylamine
• b-(3,4-dimethoxyphenyl)ethylamine
• HMS2052A09
• HMS2269O22
• HMS3394A09
• 3,4-Dimethoxyphenethylamine, 97%
• 3, 4-Dimethoxy-beta-phenethylamine
• HY-Y0935
• NSC16948
• NSC26152
• b-(3,4-dimethoxyphenyl)ethyl amine
• 2-(3,4-dimethoxy-phenyl)ethylamine
• 2-(3,4-dimethoxyphenyl) ethylamine
• 3,4-Dimethoxyphenethylamine, Pract.
• 3, 4-Dimethoxy-beta-phenylethylamine
• 3, 4-Dimethoxyphenylethylamine(base)
• 3,4-dimethoxy-beta-phenyl-ethylamine
• [2-(3,4-dimethoxyphenyl)ethyl]amine
• 2-(3,4-dimethoxy-phenyl)ethyl amine
• 2-(3,4-Dimethoxyphenyl)ethanamine #
• AKOS000104026
• beta-(3,4-dimethoxyphenyl)-ethylamine
• AC-8488
• CCG-101095
• CS-W023192
• FS-4041
• NC00345
• 2-(3',4'-dimethoxyphenyl)-ethylamine
• beta-(3,4 -dimethoxyphenyl) ethylamine
• NCGC00247022-01
• AM20060494
• D0678
• FT-0608529
• EN300-20212
• Q4634069
• W-108484
• 2-(3,4-Dimethoxyphenyl)ethanamine (ACD/Name 4.0)
• 2-(3,4-Dimethoxyphenyl)ethylamine (ACD/Name 4.0)
• DOPAMINE HYDROCHLORIDE IMPURITY C [EP IMPURITY]
• F2190-0398
• Z104477298
• InChI=1/C10H15NO2/c1-12-9-4-3-8(5-6-11)7-10(9)13-2/h3-4,7H,5-6,11H2,1-2H

2D Structure

ADMET Properties (via admetSAR 2)

Target	Value	Probability (raw)	Probability (%)
No predicted properties yet!

Targets

Proven Targets:

No proven targets yet!

Predicted Targets (via Super-PRED):

CHEMBL ID	UniProt ID	Name	Probability	Model accuracy
CHEMBL3251	P19838	Nuclear factor NF-kappa-B p105 subunit	97.39%	96.09%
CHEMBL1255126	O15151	Protein Mdm4	94.00%	90.20%
CHEMBL1293249	Q13887	Kruppel-like factor 5	92.08%	86.33%
CHEMBL3492	P49721	Proteasome Macropain subunit	91.59%	90.24%
CHEMBL3060	Q9Y345	Glycine transporter 2	89.20%	99.17%
CHEMBL4581	P52732	Kinesin-like protein 1	86.11%	93.18%
CHEMBL5608	Q16288	NT-3 growth factor receptor	85.69%	95.89%
CHEMBL241	Q14432	Phosphodiesterase 3A	85.19%	92.94%
CHEMBL4203	Q9HAZ1	Dual specificity protein kinase CLK4	85.03%	94.45%
CHEMBL2635	P51452	Dual specificity protein phosphatase 3	84.99%	94.00%
CHEMBL5619	P27695	DNA-(apurinic or apyrimidinic site) lyase	84.97%	91.11%
CHEMBL2581	P07339	Cathepsin D	84.14%	98.95%
CHEMBL2535	P11166	Glucose transporter	84.02%	98.75%
CHEMBL1075094	Q16236	Nuclear factor erythroid 2-related factor 2	83.94%	96.00%
CHEMBL4793	Q86TI2	Dipeptidyl peptidase IX	82.91%	96.95%
CHEMBL225	P28335	Serotonin 2c (5-HT2c) receptor	81.55%	89.62%

Plants that contains it

• Backebergia militaris
• Pilosocereus leucocephalus
• Vachellia rigidula

Cross-Links

• PubChem: 8421
• LOTUS: LTS0077180
• wikiData: Q4634069