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N-Ethyl-N-(3-Methylphenyl)Benzenemethanamine
CAS: 119-94-8 | C16H19N
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
119-94-8
Molecular Formula:
C16H19N
Molecular Mass:
225.33 g/mol
Names and Synonyms:
N-Ethyl-N-(3-Methylphenyl)Benzenemethanamine
Benzenemethanamine, N-ethyl-N-(3-methylphenyl)-
m-Toluidine, N-benzyl-N-ethyl-
N-Ethyl-N-(3-methylphenyl)benzenemethanamine
3-(N-Benzyl-N-ethylamino)methylbenzene
3-(N-Benzyl-N-ethylamino)toluene
N-Benzyl-N-ethyl-3-methylaniline
N-Benzyl-N-ethyl-m-toluidine
N-Ethyl-N-(m-tolyl)benzylamine
N-Ethyl-N-benzyl-m-toluidine
NSC 8089
Identifiers:
SMILES:
CCN(Cc1ccccc1)c1cccc(C)c1
InChI:
InChI=1S/C16H19N/c1-3-17(13-15-9-5-4-6-10-15)16-11-7-8-14(2)12-16/h4-12H,3,13H2,1-2H3
Spectral Data
NMR, IR, and Mass spectral data
1H NMR
13C NMR
Predicting NMR spectra...
10 ppm
9
8
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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 | 225.33 g/mol | CAS Common Chemistry |
| 225.33499999999998 g/mol | RDKit | |
| 225.151749608 g/mol | RDKit | |
| Canonical SMILES | C=1C=CC(=CC1)CN(C2=CC=CC(=C2)C)CC | CAS Common Chemistry |
| InChI | InChI=1S/C16H19N/c1-3-17(13-15-9-5-4-6-10-15)16-11-7-8-14(2)12-16/h4-12H,3,13H2,1-2H3 | CAS Common Chemistry |
| InChI Key | InChIKey=VIACAIAQHPLINF-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | N-Ethyl-N-(3-methylphenyl)benzenemethanamine | CAS Common Chemistry |
| Heavy Atom Count | 17 | RDKit |
| Hydrogen Bond Acceptors | 1 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 4 | RDKit |
| Aromatic Ring Count | 2 | RDKit |
| Topological Polar Surface Area | 3.24 Ų | RDKit |
| LogP | 4.021520000000003 | RDKit |
| Molar Refractivity | 74.34500000000006 | RDKit |
