Back to Search
Molecule
2-Ethylamino-1-(4′-Methoxyphenyl)Propane
CAS: 14367-46-5 · C12H19NO
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 14367-46-5
- Molecular Formula
- C12H19NO
- Molecular Mass
- 193.29 g/mol
Identifiers
CAS Registry Number
14367-46-5
SMILES
CCNC(C)Cc1ccc(OC)cc1
InChI Key
USBWBBAUWVUJLA-UHFFFAOYSA-N
InChI
InChI=1S/C12H19NO/c1-4-13-10(2)9-11-5-7-12(14-3)8-6-11/h5-8,10,13H,4,9H2,1-3H3
Names and Synonyms
- 2-Ethylamino-1-(4′-Methoxyphenyl)Propane Systematic Name
- Benzeneethanamine, N-ethyl-4-methoxy-α-methyl- Synonym
- Phenethylamine, N-ethyl-p-methoxy-α-methyl- Synonym
- N-Ethyl-4-methoxy-α-methylbenzeneethanamine Synonym
- N-Ethyl-p-methoxy-α-methylphenethylamine Synonym
- Ethyl[2-(4-methoxyphenyl)-1-methylethyl]amine Synonym
- (±)-N-Ethyl-p-methoxyamphetamine Synonym
- 2-Ethylamino-1-(4′-methoxyphenyl)propane Synonym
- p-Methoxyethylamphetamine Synonym
- N-Ethyl-1-(4-methoxyphenyl)propan-2-amine Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 193.29 g/mol | CAS Common Chemistry |
| Canonical SMILES | O(C1=CC=C(C=C1)CC(NCC)C)C | CAS Common Chemistry |
| InChI | InChI=1S/C12H19NO/c1-4-13-10(2)9-11-5-7-12(14-3)8-6-11/h5-8,10,13H,4,9H2,1-3H3 | CAS Common Chemistry |
| InChI Key | InChIKey=USBWBBAUWVUJLA-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | 2-Ethylamino-1-(4′-methoxyphenyl)propane | CAS Common Chemistry |
| Heavy Atom Count | 14 | RDKit |
| Hydrogen Bond Acceptors | 2 | RDKit |
| Hydrogen Bond Donors | 1 | RDKit |
| Rotatable Bonds | 5 | RDKit |
| Aromatic Ring Count | 1 | RDKit |
| Topological Polar Surface Area | 21.259999999999998 Ų | RDKit |
| 21.26 Ų | RDKit | |
| LogP | 2.2357000000000005 | RDKit |
| 2.2357 | RDKit | |
| Molar Refractivity | 59.83670000000004 cm³/mol | RDKit |
| Ring Count | 1 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.5 | RDKit |
| Exact Mass | 193.146664228 g/mol | RDKit |
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
Convert
Quick conversion
MW = 193.29 g/mol. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C12H19NO.
