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Molecule
(2S)-2-(Diphenylmethyl)Pyrrolidine
CAS: 119237-64-8 · C17H19N
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 119237-64-8
- Molecular Formula
- C17H19N
- Molecular Mass
- 237.35 g/mol
Identifiers
CAS Registry Number
119237-64-8
SMILES
c1ccc(C(c2ccccc2)[C@@H]2CCCN2)cc1
InChI Key
OXOBKZZXZVFOBB-INIZCTEOSA-N
InChI
InChI=1S/C17H19N/c1-3-8-14(9-4-1)17(16-12-7-13-18-16)15-10-5-2-6-11-15/h1-6,8-11,16-18H,7,12-13H2/t16-/m0/s1
Names and Synonyms
- (2S)-2-(Diphenylmethyl)Pyrrolidine Common Name
- Pyrrolidine, 2-(diphenylmethyl)-, (2S)- Synonym
- Pyrrolidine, 2-(diphenylmethyl)-, (S)- Synonym
- (2S)-2-(Diphenylmethyl)pyrrolidine Synonym
- (S)-2-(1,1-Diphenylmethyl)pyrrolidine Synonym
- (2S)-2-Benzhydrylpyrrolidine Synonym
- (S)-2-Benzhydrylpyrrolidine Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 237.35 g/mol | CAS Common Chemistry |
| 237.34599999999995 g/mol | RDKit | |
| 237.346 g/mol | RDKit | |
| Canonical SMILES | C=1C=CC(=CC1)C(C=2C=CC=CC2)C3NCCC3 | CAS Common Chemistry |
| InChI | InChI=1S/C17H19N/c1-3-8-14(9-4-1)17(16-12-7-13-18-16)15-10-5-2-6-11-15/h1-6,8-11,16-18H,7,12-13H2/t16-/m0/s1 | CAS Common Chemistry |
| InChI Key | InChIKey=OXOBKZZXZVFOBB-INIZCTEOSA-N | CAS Common Chemistry |
| Name | (2S)-2-(Diphenylmethyl)pyrrolidine | CAS Common Chemistry |
| Heavy Atom Count | 18 | RDKit |
| Hydrogen Bond Acceptors | 1 | RDKit |
| Hydrogen Bond Donors | 1 | RDKit |
| Rotatable Bonds | 3 | RDKit |
| Aromatic Ring Count | 2 | RDKit |
| Topological Polar Surface Area | 12.03 Ų | RDKit |
| LogP | 3.570500000000002 | RDKit |
| 3.5705 | RDKit | |
| 3.64 | chempirical lib | |
| Molar Refractivity | 75.75170000000004 cm³/mol | RDKit |
| Ring Count | 3 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.2941 | RDKit |
| 0.29 | chempirical lib | |
| Exact Mass | 237.151749608 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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200 ppm
180
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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 = 237.35 g/mol. Edit any field — others recompute live.
