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Molecule
3,3-Diphenylpropylamine
CAS: 5586-73-2 · C15H17N
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 5586-73-2
- Molecular Formula
- C15H17N
- Molecular Mass
- 211.31 g/mol
Identifiers
CAS Registry Number
5586-73-2
SMILES
NCCC(c1ccccc1)c1ccccc1
InChI Key
KISZTEOELCMZPY-UHFFFAOYSA-N
InChI
InChI=1S/C15H17N/c16-12-11-15(13-7-3-1-4-8-13)14-9-5-2-6-10-14/h1-10,15H,11-12,16H2
Names and Synonyms
- 3,3-Diphenylpropylamine Synonym
- Benzenepropanamine, γ-phenyl- Synonym
- Propylamine, 3,3-diphenyl- Synonym
- γ-Phenylbenzenepropanamine Synonym
- Diphenylpropylamine Synonym
- 3,3-Diphenylpropylamine Synonym
- 3,3-Diphenyl-1-propylamine Synonym
- 1-Amino-3,3-diphenylpropane Synonym
- 3,3-Diphenyl-1-propanamine Synonym
- IEM 2011 Synonym
- NSC 137832 Synonym
- 3,3′-Diphenylpropylamine 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 | |
| Wikipedia Url | https://en.wikipedia.org/wiki/3,3-Diphenylpropylamine | CAS Common Chemistry |
| Canonical SMILES | NCCC(C=1C=CC=CC1)C=2C=CC=CC2 | CAS Common Chemistry |
| InChI | InChI=1S/C15H17N/c16-12-11-15(13-7-3-1-4-8-13)14-9-5-2-6-10-14/h1-10,15H,11-12,16H2 | CAS Common Chemistry |
| InChI Key | InChIKey=KISZTEOELCMZPY-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 58-60 °C | CAS Common Chemistry |
| Name | 3,3-Diphenylpropylamine | CAS Common Chemistry |
| Heavy Atom Count | 16 | RDKit |
| Hydrogen Bond Acceptors | 1 | RDKit |
| Hydrogen Bond Donors | 1 | RDKit |
| Rotatable Bonds | 4 | RDKit |
| Aromatic Ring Count | 2 | RDKit |
| Topological Polar Surface Area | 26.02 Ų | RDKit |
| LogP | 3.167300000000002 | RDKit |
| 3.1673 | RDKit | |
| 3.11 | chempirical lib | |
| Molar Refractivity | 68.39840000000004 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 | 150 °C @ 2 Torr | CAS Common Chemistry |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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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.
External Resources
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MW = 211.31 g/mol. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C15H17N.
