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Molecule
2-(Ethylphenylamino)Ethanol
CAS: 92-50-2 · C10H15NO
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 92-50-2
- Molecular Formula
- C10H15NO
- Molecular Mass
- 165.24 g/mol
Identifiers
CAS Registry Number
92-50-2
SMILES
CCN(CCO)c1ccccc1
InChI Key
HYVGFUIWHXLVNV-UHFFFAOYSA-N
InChI
InChI=1S/C10H15NO/c1-2-11(8-9-12)10-6-4-3-5-7-10/h3-7,12H,2,8-9H2,1H3
Names and Synonyms
- 2-(Ethylphenylamino)Ethanol Synonym
- Ethanol, 2-(ethylphenylamino)- Synonym
- β-Ethylanilinoethyl alcohol Synonym
- N-Ethyl-N-(β-hydroxyethyl)aniline Synonym
- Ethylphenylethanolamine Synonym
- Hydroxyethylethylaniline Synonym
- Phenylethylethanolamine Synonym
- Ethyl(β-hydroxyethyl)aniline Synonym
- N-Ethyl(β-hydroxyethyl)aniline Synonym
- 2-(N-Ethylanilino)ethanol Synonym
- N-Ethyl-N-phenylethanolamine Synonym
- N-Ethylanilinoethanol Synonym
- N-Ethyl-N-phenylaminoethanol Synonym
- N-Ethyl-N-(2-hydroxyethyl)aniline Synonym
- N-(2-Hydroxyethyl)-N-ethylaniline Synonym
- N-Ethyl-N-(hydroxyethyl)aniline Synonym
- 2-(N-Ethyl-N-phenylamino)ethanol Synonym
- N-Phenyl-N-ethyl-2-aminoethanol Synonym
- NSC 7485 Synonym
- Ethylanilinoethanol Synonym
- N-Ethyl-N-ethanol-aniline Synonym
- 2-[Ethyl(phenyl)amino]ethan-1-ol Synonym
- Ethanol, 2-(N-ethylanilino)- Synonym
- 2-(Ethylphenylamino)ethanol Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 165.24 g/mol | CAS Common Chemistry |
| 165.236 g/mol | RDKit | |
| Density | 1.05 g/cm³ | CAS Common Chemistry |
| 1.0506 g/cm3 @ 20 °C | CAS Common Chemistry | |
| Boiling Point | 268 °C | CAS Common Chemistry |
| Canonical SMILES | OCCN(C=1C=CC=CC1)CC | CAS Common Chemistry |
| InChI | InChI=1S/C10H15NO/c1-2-11(8-9-12)10-6-4-3-5-7-10/h3-7,12H,2,8-9H2,1H3 | CAS Common Chemistry |
| InChI Key | InChIKey=HYVGFUIWHXLVNV-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 37 °C | CAS Common Chemistry |
| Name | 2-(Ethylphenylamino)ethanol | CAS Common Chemistry |
| Heavy Atom Count | 12 | RDKit |
| Hydrogen Bond Acceptors | 2 | RDKit |
| Hydrogen Bond Donors | 1 | RDKit |
| Rotatable Bonds | 4 | RDKit |
| Aromatic Ring Count | 1 | RDKit |
| Topological Polar Surface Area | 23.47 Ų | RDKit |
| 23.24 Ų | chempirical lib | |
| LogP | 1.5051999999999999 | RDKit |
| 1.5052 | RDKit | |
| Molar Refractivity | 51.41480000000004 cm³/mol | RDKit |
| Ring Count | 1 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.4 | RDKit |
| Exact Mass | 165.1153641 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
9
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3
2
1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
160
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120
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20
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 = 165.24 g/mol; density = 1.050 g/mL. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C10H15NO.
