Back to Search
Molecule
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
Identifiers
CAS Registry Number
5588-10-3
SMILES
CNC(C)Cc1ccccc1OC.Cl
InChI Key
FGSJNNQVSUVTPW-UHFFFAOYSA-N
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
Names and Synonyms
- Benzeneethanamine, 2-Methoxy-N,Α-Dimethyl-, Hydrochloride (1:1) Synonym
- Benzeneethanamine, 2-methoxy-N,α-dimethyl-, hydrochloride (1:1) Synonym
- Phenethylamine, o-methoxy-N,α-dimethyl-, hydrochloride Synonym
- Benzeneethanamine, 2-methoxy-N,α-dimethyl-, hydrochloride Synonym
- o-Methoxy-N,α-dimethylphenethylamine hydrochloride Synonym
- Methoxyphenaminium chloride Synonym
- Orthoxine hydrochloride Synonym
- Ortodrinex hydrochloride Synonym
- Methoxyphenamine hydrochloride Synonym
- o-Methoxymethamphetamine hydrochloride Synonym
- dl-o-Methoxy-N,α-dimethylphenethylamine hydrochloride Synonym
- dl-Orthoxine hydrochloride Synonym
- (±)-Methoxyphenamine hydrochloride Synonym
- 2-Methoxymethamphetamine hydrochloride Synonym
- Proasma Synonym
- NSC 65644 Synonym
- [1-(2-Methoxyphenyl)propan-2-yl](methyl)amine hydrochloride Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 215.72 g/mol | CAS Common Chemistry |
| 215.724 g/mol | RDKit | |
| 215.721 g/mol | chempirical lib | |
| 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 |
| 21.26 Ų | RDKit | |
| LogP | 2.2674000000000007 | RDKit |
| 2.2674 | RDKit | |
| Molar Refractivity | 62.46770000000004 cm³/mol | RDKit |
| Ring Count | 1 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.4545 | RDKit |
| 0.45 | chempirical lib | |
| Exact Mass | 215.107691876 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
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.
External Resources
Convert
Quick conversion
MW = 215.72 g/mol. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C11H18ClNO.
