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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
Names and Synonyms:
2-Ethylamino-1-(4′-Methoxyphenyl)Propane
Benzeneethanamine, N-ethyl-4-methoxy-α-methyl-
Phenethylamine, N-ethyl-p-methoxy-α-methyl-
N-Ethyl-4-methoxy-α-methylbenzeneethanamine
N-Ethyl-p-methoxy-α-methylphenethylamine
Ethyl[2-(4-methoxyphenyl)-1-methylethyl]amine
(±)-N-Ethyl-p-methoxyamphetamine
2-Ethylamino-1-(4′-methoxyphenyl)propane
p-Methoxyethylamphetamine
N-Ethyl-1-(4-methoxyphenyl)propan-2-amine
Identifiers:
SMILES:
CCNC(C)Cc1ccc(OC)cc1
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
Spectral Data
NMR, IR, and Mass spectral data
1H NMR
13C NMR
Predicting NMR spectra...
10 ppm
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8
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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 |
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Note: These NMR spectra are predicted computationally and may differ from experimental data. Predictions are based on chemical environment analysis.
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 193.29 g/mol | CAS Common Chemistry |
| 193.146664228 g/mol | RDKit | |
| 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 |
| LogP | 2.2357000000000005 | RDKit |
| Molar Refractivity | 59.83670000000004 | RDKit |
