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Molecule
Ethylbenzylaniline
CAS: 92-59-1 · C15H17N
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 92-59-1
- Molecular Formula
- C15H17N
- Molecular Mass
- 211.31 g/mol
Identifiers
CAS Registry Number
92-59-1
SMILES
CCN(Cc1ccccc1)c1ccccc1
InChI Key
HSZCJVZRHXPCIA-UHFFFAOYSA-N
InChI
InChI=1S/C15H17N/c1-2-16(15-11-7-4-8-12-15)13-14-9-5-3-6-10-14/h3-12H,2,13H2,1H3
Names and Synonyms
- Ethylbenzylaniline Synonym
- Benzenemethanamine, N-ethyl-N-phenyl- Synonym
- Benzylamine, N-ethyl-N-phenyl- Synonym
- N-Ethyl-N-phenylbenzenemethanamine Synonym
- N-Ethyl-N-benzylaniline Synonym
- Phenylethylbenzylamine Synonym
- N-Benzyl-N-ethylaniline Synonym
- Benzylethylphenylamine Synonym
- Ethylbenzylaniline Synonym
- N-Ethyl-N-phenylbenzylamine Synonym
- N-Benzyl-N-phenyl-N-ethylamine Synonym
- NSC 1805 Synonym
- NSC 406962 Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 211.31 g/mol | CAS Common Chemistry |
| 211.308 g/mol | RDKit | |
| Density | 1.03 g/cm³ | CAS Common Chemistry |
| 1.034 g/cm3 @ 19 °C | CAS Common Chemistry | |
| Canonical SMILES | C=1C=CC(=CC1)N(CC=2C=CC=CC2)CC | CAS Common Chemistry |
| InChI | InChI=1S/C15H17N/c1-2-16(15-11-7-4-8-12-15)13-14-9-5-3-6-10-14/h3-12H,2,13H2,1H3 | CAS Common Chemistry |
| InChI Key | InChIKey=HSZCJVZRHXPCIA-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 34 °C | CAS Common Chemistry |
| Name | Ethylbenzylaniline | CAS Common Chemistry |
| Heavy Atom Count | 16 | RDKit |
| Hydrogen Bond Acceptors | 1 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 4 | RDKit |
| Aromatic Ring Count | 2 | RDKit |
| Topological Polar Surface Area | 3.24 Ų | RDKit |
| 3.01 Ų | chempirical lib | |
| LogP | 3.7131000000000025 | RDKit |
| 3.7131 | RDKit | |
| Molar Refractivity | 69.60800000000005 cm³/mol | RDKit |
| Ring Count | 2 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.2 | RDKit |
| Exact Mass | 211.136099544 g/mol | RDKit |
| Boiling Point | 287 °C @ 710 Torr | CAS Common Chemistry |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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1
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| Shift (ppm) | Multiplicity | Integration | Assignment |
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200 ppm
180
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| 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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Quick conversion
MW = 211.31 g/mol; density = 1.030 g/mL. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C15H17N.
