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Molecule
(-)-N-Benzyl-1-Phenylethylamine
CAS: 17480-69-2 · C15H17N
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 17480-69-2
- Molecular Formula
- C15H17N
- Molecular Mass
- 211.31 g/mol
Identifiers
CAS Registry Number
17480-69-2
SMILES
C[C@H](NCc1ccccc1)c1ccccc1
InChI Key
ZYZHMSJNPCYUTB-ZDUSSCGKSA-N
InChI
InChI=1S/C15H17N/c1-13(15-10-6-3-7-11-15)16-12-14-8-4-2-5-9-14/h2-11,13,16H,12H2,1H3/t13-/m0/s1
Names and Synonyms
- (-)-N-Benzyl-1-Phenylethylamine Synonym
- Benzenemethanamine, α-methyl-N-(phenylmethyl)-, (αS)- Synonym
- Dibenzylamine, α-methyl-, (-)- Synonym
- Benzenemethanamine, α-methyl-N-(phenylmethyl)-, (S)- Synonym
- (αS)-α-Methyl-N-(phenylmethyl)benzenemethanamine Synonym
- (-)-N-Benzyl-1-phenylethylamine Synonym
- (S)-N-Benzyl-α-phenethylamine Synonym
- (1S)-N-(1-Phenylethyl)benzylamine Synonym
- (S)-N-Benzyl-1-phenylethylamine Synonym
- (S)-N-Benzyl-α-methylbenzylamine Synonym
- (S)-(-)-N-Benzyl-α-methylbenzylamine Synonym
- (S)-Benzyl(α-methylbenzyl)amine Synonym
- (Benzyl)((S)-1-phenylethyl)amine Synonym
- (S)-N-Benzyl-N-(α-methylbenzyl)amine Synonym
- N-Benzyl-N-((αS)-α-methylbenzyl)amine Synonym
- (Benzyl)((1S)-1-phenylethyl)amine Synonym
- N-Benzyl((S)-1-phenylethyl)amine Synonym
- (S)-N-Benzyl-1-phenylethanamine Synonym
- (1S)-N-Benzyl-1-phenylethylamine Synonym
- (S)-(-)-N-Benzyl-alpha-methylbenzylamine Synonym
- (S)-N-Benzyl-1-phenylethan-1-amine Synonym
- (1S)-N-Benzyl-1-phenylethanamine Synonym
- (S)-(-)-N-Benzyl-1-phenylethylamine 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 | |
| Canonical SMILES | C=1C=CC(=CC1)CNC(C=2C=CC=CC2)C | CAS Common Chemistry |
| InChI | InChI=1S/C15H17N/c1-13(15-10-6-3-7-11-15)16-12-14-8-4-2-5-9-14/h2-11,13,16H,12H2,1H3/t13-/m0/s1 | CAS Common Chemistry |
| InChI Key | InChIKey=ZYZHMSJNPCYUTB-ZDUSSCGKSA-N | CAS Common Chemistry |
| Name | (-)-N-Benzyl-1-phenylethylamine | 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 | 12.03 Ų | RDKit |
| LogP | 3.5374000000000025 | RDKit |
| 3.5374 | RDKit | |
| Molar Refractivity | 68.13870000000004 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 | 110-115 °C @ 0.5 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 = 211.31 g/mol. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C15H17N.
