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(-)-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
Names and Synonyms:
(-)-N-Benzyl-1-Phenylethylamine
Benzenemethanamine, α-methyl-N-(phenylmethyl)-, (αS)-
Dibenzylamine, α-methyl-, (-)-
Benzenemethanamine, α-methyl-N-(phenylmethyl)-, (S)-
(αS)-α-Methyl-N-(phenylmethyl)benzenemethanamine
(-)-N-Benzyl-1-phenylethylamine
(S)-N-Benzyl-α-phenethylamine
(1S)-N-(1-Phenylethyl)benzylamine
(S)-N-Benzyl-1-phenylethylamine
(S)-N-Benzyl-α-methylbenzylamine
(S)-(-)-N-Benzyl-α-methylbenzylamine
(S)-Benzyl(α-methylbenzyl)amine
(Benzyl)((S)-1-phenylethyl)amine
(S)-N-Benzyl-N-(α-methylbenzyl)amine
N-Benzyl-N-((αS)-α-methylbenzyl)amine
(Benzyl)((1S)-1-phenylethyl)amine
N-Benzyl((S)-1-phenylethyl)amine
(S)-N-Benzyl-1-phenylethanamine
(1S)-N-Benzyl-1-phenylethylamine
(S)-(-)-N-Benzyl-alpha-methylbenzylamine
(S)-N-Benzyl-1-phenylethan-1-amine
(1S)-N-Benzyl-1-phenylethanamine
(S)-(-)-N-Benzyl-1-phenylethylamine
Identifiers:
SMILES:
C[C@H](NCc1ccccc1)c1ccccc1
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
Key Properties
Boiling Point
110-115 °C @ Press: 0.5 Torr
CAS Common Chemistry
Spectral Data
NMR, IR, and Mass spectral data
1H NMR
13C NMR
Predicting NMR spectra...
10 ppm
9
8
7
6
5
4
3
2
1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
160
140
120
100
80
60
40
20
0 ppm
| Shift (ppm) | DEPT | Assignment |
|---|
Note: These NMR spectra are predicted computationally and may differ from experimental data. Predictions are based on chemical environment analysis.
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 211.31 g/mol | CAS Common Chemistry |
| 211.308 g/mol | RDKit | |
| 211.136099544 g/mol | RDKit | |
| Boiling Point | 110-115 °C @ Press: 0.5 Torr | CAS Common Chemistry |
| 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 |
| Molar Refractivity | 68.13870000000004 | RDKit |
