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Molecule
2-(2-Methoxyphenoxy)Ethanamine
CAS: 1836-62-0 · C9H13NO2
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 1836-62-0
- Molecular Formula
- C9H13NO2
- Molecular Mass
- 167.21 g/mol
Identifiers
CAS Registry Number
1836-62-0
SMILES
COc1ccccc1OCCN
InChI Key
CKJRKLKVCHMWLV-UHFFFAOYSA-N
InChI
InChI=1S/C9H13NO2/c1-11-8-4-2-3-5-9(8)12-7-6-10/h2-5H,6-7,10H2,1H3
Names and Synonyms
- 2-(2-Methoxyphenoxy)Ethanamine Systematic Name
- Ethanamine, 2-(2-methoxyphenoxy)- Synonym
- Ethylamine, 2-(o-methoxyphenoxy)- Synonym
- 2-(2-Methoxyphenoxy)ethanamine Synonym
- 2-(2-Methoxyphenoxy)ethylamine Synonym
- 2-(o-Methoxyphenoxy)ethylamine Synonym
- Guaiacoxyethylamine Synonym
- 2-(2-Methoxyphenoxy)ethan-1-amine Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 167.21 g/mol | CAS Common Chemistry |
| 167.20799999999994 g/mol | RDKit | |
| 167.208 g/mol | RDKit | |
| 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 |
| 44.48 Ų | RDKit | |
| LogP | 1.0327 | RDKit |
| Molar Refractivity | 47.54340000000002 cm³/mol | RDKit |
| Ring Count | 1 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.3333 | RDKit |
| 0.33 | chempirical lib | |
| Exact Mass | 167.094628656 g/mol | RDKit |
| Boiling Point | 139-141 °C @ 11 Torr | CAS Common Chemistry |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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2
1
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| Shift (ppm) | Multiplicity | Integration | Assignment |
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200 ppm
180
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140
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0 ppm
| Shift (ppm) | DEPT | Assignment |
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Note: These NMR spectra are predicted computationally and may differ from experimental data. Predictions are based on chemical environment analysis.
External Resources
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MW = 167.21 g/mol. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C9H13NO2.
