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Molecule
N-Methyl-Γ-Phenylbenzenepropanamine
CAS: 28075-29-8 · C16H19N
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 28075-29-8
- Molecular Formula
- C16H19N
- Molecular Mass
- 225.33 g/mol
Identifiers
CAS Registry Number
28075-29-8
SMILES
CNCCC(c1ccccc1)c1ccccc1
InChI Key
AKEGHAUFMKCWGX-UHFFFAOYSA-N
InChI
InChI=1S/C16H19N/c1-17-13-12-16(14-8-4-2-5-9-14)15-10-6-3-7-11-15/h2-11,16-17H,12-13H2,1H3
Names and Synonyms
- N-Methyl-Γ-Phenylbenzenepropanamine Common Name
- Benzenepropanamine, N-methyl-γ-phenyl- Synonym
- Propylamine, N-methyl-3,3-diphenyl- Synonym
- N-Methyl-γ-phenylbenzenepropanamine Synonym
- N-Methyl-3,3-diphenylpropylamine Synonym
- (3,3-Diphenylpropyl)methylamine Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 225.33 g/mol | CAS Common Chemistry |
| 225.335 g/mol | RDKit | |
| Canonical SMILES | C=1C=CC(=CC1)C(C=2C=CC=CC2)CCNC | CAS Common Chemistry |
| InChI | InChI=1S/C16H19N/c1-17-13-12-16(14-8-4-2-5-9-14)15-10-6-3-7-11-15/h2-11,16-17H,12-13H2,1H3 | CAS Common Chemistry |
| InChI Key | InChIKey=AKEGHAUFMKCWGX-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | N-Methyl-γ-phenylbenzenepropanamine | CAS Common Chemistry |
| Heavy Atom Count | 17 | RDKit |
| Hydrogen Bond Acceptors | 1 | RDKit |
| Hydrogen Bond Donors | 1 | RDKit |
| Rotatable Bonds | 5 | RDKit |
| Aromatic Ring Count | 2 | RDKit |
| Topological Polar Surface Area | 12.03 Ų | RDKit |
| LogP | 3.4280000000000026 | RDKit |
| 3.428 | RDKit | |
| 3.5 | chempirical lib | |
| Molar Refractivity | 73.27070000000005 cm³/mol | RDKit |
| Ring Count | 2 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.25 | RDKit |
| Exact Mass | 225.151749608 g/mol | RDKit |
| Boiling Point | 178 °C @ 10 Torr | CAS Common Chemistry |
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.
External Resources
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MW = 225.33 g/mol. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C16H19N.
