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3,4-Dimethoxyphenethylamine
CAS: 120-20-7 | C10H15NO2
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
120-20-7
Molecular Formula:
C10H15NO2
Molecular Mass:
181.23 g/mol
Names and Synonyms:
3,4-Dimethoxyphenethylamine
Benzeneethanamine, 3,4-dimethoxy-
Phenethylamine, 3,4-dimethoxy-
3,4-Dimethoxybenzeneethanamine
3,4-Di-O-methyldopamine
β-(3,4-Dimethoxyphenyl)ethylamine
3,4-Dimethoxy-β-phenylethylamine
DIMPEA
DMPE
DMPEA
Homoveratrylamine
2-(3,4-Dimethoxyphenyl)ethylamine
3,4-Dimethoxyphenethylamine
Dopamine dimethyl ether
O,O-Dimethyldopamine
2-(3,4-Dimethoxyphenyl)ethanamine
NSC 16948
NSC 26152
NSC 6328
2-(3,4-Dimethoxyphenyl)-1-aminoethane
2-(3,4-Dimethoxyphenyl)ethan-1-amine
2-(3,4-Dimethoxyphenyl)ethaneamine
Identifiers:
SMILES:
COc1ccc(CCN)cc1OC
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
Key Properties
Boiling Point
163-165 °C
CAS Common Chemistry
Melting Point
124 °C
CAS Common Chemistry
Spectral Data
NMR, IR, and Mass spectral data
1H NMR
13C NMR
Predicting NMR spectra...
10 ppm
9
8
7
6
5
4
3
2
1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
160
140
120
100
80
60
40
20
0 ppm
| Shift (ppm) | DEPT | Assignment |
|---|
Note: These NMR spectra are predicted computationally and may differ from experimental data. Predictions are based on chemical environment analysis.
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 181.23 g/mol | CAS Common Chemistry |
| 181.235 g/mol | RDKit | |
| 181.11027872 g/mol | RDKit | |
| Wikipedia Url | https://en.wikipedia.org/wiki/3,4-Dimethoxyphenethylamine | CAS Common Chemistry |
| Boiling Point | 163-165 °C | CAS Common Chemistry |
| Canonical SMILES | O(C1=CC=C(C=C1OC)CCN)C | CAS Common Chemistry |
| 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 | CAS Common Chemistry |
| InChI Key | InChIKey=ANOUKFYBOAKOIR-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 124 °C | CAS Common Chemistry |
| Name | 3,4-Dimethoxyphenethylamine | CAS Common Chemistry |
| Heavy Atom Count | 13 | RDKit |
| Hydrogen Bond Acceptors | 3 | RDKit |
| Hydrogen Bond Donors | 1 | RDKit |
| Rotatable Bonds | 4 | RDKit |
| Aromatic Ring Count | 1 | RDKit |
| Topological Polar Surface Area | 44.480000000000004 Ų | RDKit |
| LogP | 1.205 | RDKit |
| Molar Refractivity | 52.30440000000003 | RDKit |
