Back to Search
Benzeneethanamine, 2-Methoxy-N,Α-Dimethyl-, Hydrochloride (1:1)
CAS: 5588-10-3 | C11H18ClNO
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
5588-10-3
Molecular Formula:
C11H18ClNO
Molecular Mass:
215.72 g/mol
Names and Synonyms:
Benzeneethanamine, 2-Methoxy-N,Α-Dimethyl-, Hydrochloride (1:1)
Benzeneethanamine, 2-methoxy-N,α-dimethyl-, hydrochloride (1:1)
Phenethylamine, o-methoxy-N,α-dimethyl-, hydrochloride
Benzeneethanamine, 2-methoxy-N,α-dimethyl-, hydrochloride
o-Methoxy-N,α-dimethylphenethylamine hydrochloride
Methoxyphenaminium chloride
Orthoxine hydrochloride
Ortodrinex hydrochloride
Methoxyphenamine hydrochloride
o-Methoxymethamphetamine hydrochloride
dl-o-Methoxy-N,α-dimethylphenethylamine hydrochloride
dl-Orthoxine hydrochloride
(±)-Methoxyphenamine hydrochloride
2-Methoxymethamphetamine hydrochloride
Proasma
NSC 65644
[1-(2-Methoxyphenyl)propan-2-yl](methyl)amine hydrochloride
Identifiers:
SMILES:
CNC(C)Cc1ccccc1OC.Cl
InChI:
InChI=1S/C11H17NO.ClH/c1-9(12-2)8-10-6-4-5-7-11(10)13-3;/h4-7,9,12H,8H2,1-3H3;1H
Key Properties
Melting Point
129-131 °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 | 215.72 g/mol | CAS Common Chemistry |
| 215.724 g/mol | RDKit | |
| 215.107691876 g/mol | RDKit | |
| Canonical SMILES | Cl.O(C=1C=CC=CC1CC(NC)C)C | CAS Common Chemistry |
| InChI | InChI=1S/C11H17NO.ClH/c1-9(12-2)8-10-6-4-5-7-11(10)13-3;/h4-7,9,12H,8H2,1-3H3;1H | CAS Common Chemistry |
| InChI Key | InChIKey=FGSJNNQVSUVTPW-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 129-131 °C | CAS Common Chemistry |
| Name | Benzeneethanamine, 2-methoxy-N,α-dimethyl-, hydrochloride (1:1) | CAS Common Chemistry |
| Heavy Atom Count | 14 | RDKit |
| Hydrogen Bond Acceptors | 2 | RDKit |
| Hydrogen Bond Donors | 1 | RDKit |
| Rotatable Bonds | 4 | RDKit |
| Aromatic Ring Count | 1 | RDKit |
| Topological Polar Surface Area | 21.259999999999998 Ų | RDKit |
| LogP | 2.2674000000000007 | RDKit |
| Molar Refractivity | 62.46770000000004 | RDKit |
