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Molecule
1,2-Diphenylethylamine
CAS: 25611-78-3 · C14H15N
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 25611-78-3
- Molecular Formula
- C14H15N
- Molecular Mass
- 197.28 g/mol
Identifiers
CAS Registry Number
25611-78-3
SMILES
NC(Cc1ccccc1)c1ccccc1
InChI Key
DTGGNTMERRTPLR-UHFFFAOYSA-N
InChI
InChI=1S/C14H15N/c15-14(13-9-5-2-6-10-13)11-12-7-3-1-4-8-12/h1-10,14H,11,15H2
Names and Synonyms
- 1,2-Diphenylethylamine Synonym
- Benzeneethanamine, α-phenyl- Synonym
- Ethylamine, 1,2-diphenyl- Synonym
- α-Phenylbenzeneethanamine Synonym
- Ethanamine, 1,2-diphenyl- Synonym
- 1,2-Diphenylethylamine Synonym
- α-Benzylbenzylamine Synonym
- 1-Amino-1,2-diphenylethane Synonym
- (±)-α-Phenylphenethylamine Synonym
- dl-α-Benzylbenzylamine Synonym
- (±)-α,β-Diphenylethylamine Synonym
- DL-1,2-Diphenylethylamine Synonym
- (±)-1,2-Diphenylethylamine Synonym
- 1,2-Diphenethylamine Synonym
- 1,2-Diphenylethanamine Synonym
- 1,2-Diphenylethan-1-amine Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 197.28 g/mol | CAS Common Chemistry |
| 197.28099999999998 g/mol | RDKit | |
| 197.281 g/mol | RDKit | |
| Boiling Point | 311 °C | CAS Common Chemistry |
| Canonical SMILES | NC(C=1C=CC=CC1)CC=2C=CC=CC2 | CAS Common Chemistry |
| InChI | InChI=1S/C14H15N/c15-14(13-9-5-2-6-10-13)11-12-7-3-1-4-8-12/h1-10,14H,11,15H2 | CAS Common Chemistry |
| InChI Key | InChIKey=DTGGNTMERRTPLR-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | 1,2-Diphenylethylamine | CAS Common Chemistry |
| Heavy Atom Count | 15 | RDKit |
| Hydrogen Bond Acceptors | 1 | RDKit |
| Hydrogen Bond Donors | 1 | RDKit |
| Rotatable Bonds | 3 | RDKit |
| Aromatic Ring Count | 2 | RDKit |
| Topological Polar Surface Area | 26.02 Ų | RDKit |
| LogP | 2.929100000000002 | RDKit |
| 2.9291 | RDKit | |
| 2.72 | chempirical lib | |
| Molar Refractivity | 63.51640000000003 cm³/mol | RDKit |
| Ring Count | 2 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.1429 | RDKit |
| 0.14 | chempirical lib | |
| Exact Mass | 197.12044948 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
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200 ppm
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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.
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MW = 197.28 g/mol. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C14H15N.
