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Molecule
Tramadol
CAS: 27203-92-5 · C16H25NO2
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 27203-92-5
- Molecular Formula
- C16H25NO2
- Molecular Mass
- 263.38 g/mol
Identifiers
CAS Registry Number
27203-92-5
SMILES
COc1cccc([C@]2(O)CCCC[C@H]2CN(C)C)c1
InChI Key
TVYLLZQTGLZFBW-AQPSWHTGNA-N
InChI
InChI=1/C16H25NO2/c1-17(2)12-14-7-4-5-10-16(14,18)13-8-6-9-15(11-13)19-3/h6,8-9,11,14,18H,4-5,7,10,12H2,1-3H3/t14-,16+/s2
Names and Synonyms
- Tramadol Common Name
- Cyclohexanol, 2-[(dimethylamino)methyl]-1-(3-methoxyphenyl)-, (1R,2R)-rel- Synonym
- Cyclohexanol, 2-[(dimethylamino)methyl]-1-(m-methoxyphenyl)- Synonym
- Cyclohexanol, 2-[(dimethylamino)methyl]-1-(3-methoxyphenyl)-, cis-(±)- Synonym
- rel-(1R,2R)-2-[(Dimethylamino)methyl]-1-(3-methoxyphenyl)cyclohexanol Synonym
- Tramadol Synonym
- Racemic tramadol Synonym
- cis-Tramadol Synonym
- (±)-Tramadol Synonym
- CG 315E Synonym
- E 265 Synonym
- U 26255A Synonym
- Tramadol Contramid Synonym
- Zytram Synonym
- Tramadis Synonym
- Tramadon Synonym
- Trapidol Synonym
- Tiparol Synonym
- Tramaliv Synonym
- Tradolan Synonym
- Ryzolt Synonym
- Biomadol Synonym
- Labesfal Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 263.38 g/mol | CAS Common Chemistry |
| 263.3809999999999 g/mol | RDKit | |
| 263.381 g/mol | RDKit | |
| Canonical SMILES | OC1(C=2C=CC=C(OC)C2)CCCCC1CN(C)C | CAS Common Chemistry |
| InChI | InChI=1/C16H25NO2/c1-17(2)12-14-7-4-5-10-16(14,18)13-8-6-9-15(11-13)19-3/h6,8-9,11,14,18H,4-5,7,10,12H2,1-3H3/t14-,16+/s2 | CAS Common Chemistry |
| InChI Key | InChIKey=TVYLLZQTGLZFBW-AQPSWHTGNA-N | CAS Common Chemistry |
| Name | Tramadol | CAS Common Chemistry |
| Heavy Atom Count | 19 | RDKit |
| Hydrogen Bond Acceptors | 3 | RDKit |
| Hydrogen Bond Donors | 1 | RDKit |
| Rotatable Bonds | 4 | RDKit |
| Aromatic Ring Count | 1 | RDKit |
| Topological Polar Surface Area | 32.7 Ų | RDKit |
| 32.47 Ų | chempirical lib | |
| LogP | 2.6346000000000007 | RDKit |
| 2.6346 | RDKit | |
| Molar Refractivity | 77.40280000000006 cm³/mol | RDKit |
| Ring Count | 2 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.625 | RDKit |
| 0.62 | chempirical lib | |
| Exact Mass | 263.18852904 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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1
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| Shift (ppm) | Multiplicity | Integration | Assignment |
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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.
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MW = 263.38 g/mol. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C16H25NO2.
