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2-(2-Methoxyphenoxy)Ethanamine
CAS: 1836-62-0 | C9H13NO2
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
1836-62-0
Molecular Formula:
C9H13NO2
Molecular Mass:
167.21 g/mol
Names and Synonyms:
2-(2-Methoxyphenoxy)Ethanamine
Ethanamine, 2-(2-methoxyphenoxy)-
Ethylamine, 2-(o-methoxyphenoxy)-
2-(2-Methoxyphenoxy)ethanamine
2-(2-Methoxyphenoxy)ethylamine
2-(o-Methoxyphenoxy)ethylamine
Guaiacoxyethylamine
2-(2-Methoxyphenoxy)ethan-1-amine
Identifiers:
SMILES:
COc1ccccc1OCCN
InChI:
InChI=1S/C9H13NO2/c1-11-8-4-2-3-5-9(8)12-7-6-10/h2-5H,6-7,10H2,1H3
Key Properties
Boiling Point
139-141 °C @ Press: 11 Torr
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 | 167.21 g/mol | CAS Common Chemistry |
| 167.20799999999994 g/mol | RDKit | |
| 167.094628656 g/mol | RDKit | |
| Boiling Point | 139-141 °C @ Press: 11 Torr | CAS Common Chemistry |
| Canonical SMILES | O(C=1C=CC=CC1OCCN)C | CAS Common Chemistry |
| InChI | InChI=1S/C9H13NO2/c1-11-8-4-2-3-5-9(8)12-7-6-10/h2-5H,6-7,10H2,1H3 | CAS Common Chemistry |
| InChI Key | InChIKey=CKJRKLKVCHMWLV-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | 2-(2-Methoxyphenoxy)ethanamine | CAS Common Chemistry |
| Heavy Atom Count | 12 | 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 | 1.0327 | RDKit |
| Molar Refractivity | 47.54340000000002 | RDKit |
