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Molecule
Formetorex
CAS: 15302-18-8 · C10H13NO
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 15302-18-8
- Molecular Formula
- C10H13NO
- Molecular Mass
- 163.22 g/mol
Identifiers
CAS Registry Number
15302-18-8
SMILES
CC(Cc1ccccc1)N=CO
InChI Key
SGSYPSYCGPLSML-UHFFFAOYSA-N
InChI
InChI=1S/C10H13NO/c1-9(11-8-12)7-10-5-3-2-4-6-10/h2-6,8-9H,7H2,1H3,(H,11,12)
Names and Synonyms
- Formetorex Synonym
- Formamide, N-(1-methyl-2-phenylethyl)- Synonym
- Formamide, N-(α-methylphenethyl)-, (±)- Synonym
- Formamide, N-(1-methyl-2-phenylethyl)-, (±)- Synonym
- N-(1-Methyl-2-phenylethyl)formamide Synonym
- N-Formylamphetamine Synonym
- Formetorex Synonym
- Formetamide Synonym
- 1-Phenyl-2-(N-formylamino)propane Synonym
- NSC 511083 Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 163.22 g/mol | CAS Common Chemistry |
| 163.21999999999997 g/mol | RDKit | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Formetorex | CAS Common Chemistry |
| Canonical SMILES | O=CNC(C)CC=1C=CC=CC1 | CAS Common Chemistry |
| InChI | InChI=1S/C10H13NO/c1-9(11-8-12)7-10-5-3-2-4-6-10/h2-6,8-9H,7H2,1H3,(H,11,12) | CAS Common Chemistry |
| InChI Key | InChIKey=SGSYPSYCGPLSML-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 49-50 °C @ Solvent: Hexane, Ethyl acetate | CAS Common Chemistry |
| Name | N-Formylamphetamine | CAS Common Chemistry |
| Heavy Atom Count | 12 | RDKit |
| Hydrogen Bond Acceptors | 1 | RDKit |
| Hydrogen Bond Donors | 1 | RDKit |
| Rotatable Bonds | 3 | RDKit |
| Aromatic Ring Count | 1 | RDKit |
| Topological Polar Surface Area | 32.59 Ų | RDKit |
| LogP | 2.2039 | RDKit |
| Molar Refractivity | 50.72880000000003 cm³/mol | RDKit |
| Ring Count | 1 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.3 | RDKit |
| Exact Mass | 163.099714036 g/mol | RDKit |
| Boiling Point | 119-121 °C @ 0.12 Torr | CAS Common Chemistry |
Spectral Data
NMR, IR, and Mass spectral data
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.
External Resources
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MW = 163.22 g/mol. Edit any field — others recompute live.
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