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Molecule
(+)-Benzylphenethylamine
CAS: 38235-77-7 · C15H17N
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 38235-77-7
- Molecular Formula
- C15H17N
- Molecular Mass
- 211.31 g/mol
Identifiers
CAS Registry Number
38235-77-7
SMILES
C[C@@H](NCc1ccccc1)c1ccccc1
InChI Key
ZYZHMSJNPCYUTB-CYBMUJFWSA-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-/m1/s1
Names and Synonyms
- (+)-Benzylphenethylamine Synonym
- (R)-N-Benzyl-1-phenyl-1-ethylamine Synonym
- Benzenemethanamine, α-methyl-N-(phenylmethyl)-, (αR)- Synonym
- Benzenemethanamine, α-methyl-N-(phenylmethyl)-, (R)- Synonym
- (αR)-α-Methyl-N-(phenylmethyl)benzenemethanamine Synonym
- (+)-N-Benzyl-α-phenylethylamine Synonym
- (R)-N-Benzyl-1-phenylethylamine Synonym
- N-[(R)-1-Phenylethyl]benzylamine Synonym
- (R)-(+)-N-Benzyl-1-phenylethylamine Synonym
- N-Benzyl-(R)-α-methylbenzylamine Synonym
- (R)-N-(α-Methylbenzyl)-N-benzylamine Synonym
- (R)-N-Benzyl-α-methylbenzylamine Synonym
- (R)-Benzyl(α-methylbenzyl)amine Synonym
- (R)-N-Benzyl-N-α-methylbenzylamine Synonym
- (R)-(+)-N-Benzyl-α-methylbenzylamine Synonym
- Benzyl((R)-1-phenylethyl)amine Synonym
- (+)-Benzylphenethylamine Synonym
- (+)-N-Benzyl-1-phenylethylamine Synonym
- N-Benzyl((R)-1-phenylethyl)amine Synonym
- (R)-N-Benzyl-α-methylbenzylamine Synonym
- (R)-N-Benzyl-1-phenylethanamine Synonym
- (R)-N-Benzyl-1-phenylethan-1-amine Synonym
- (R)-N-Benzyl-N-(-methylbenzyl)amine Synonym
- (R)-(+)-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-/m1/s1 | CAS Common Chemistry |
| InChI Key | InChIKey=ZYZHMSJNPCYUTB-CYBMUJFWSA-N | CAS Common Chemistry |
| Name | (+)-Benzylphenethylamine | 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 |
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 = 211.31 g/mol. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C15H17N.
