Back to Search
Molecule
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
Identifiers
CAS Registry Number
119-94-8
SMILES
CCN(Cc1ccccc1)c1cccc(C)c1
InChI Key
VIACAIAQHPLINF-UHFFFAOYSA-N
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
Names and Synonyms
- N-Ethyl-N-(3-Methylphenyl)Benzenemethanamine Common Name
- Benzenemethanamine, N-ethyl-N-(3-methylphenyl)- Synonym
- m-Toluidine, N-benzyl-N-ethyl- Synonym
- N-Ethyl-N-(3-methylphenyl)benzenemethanamine Synonym
- 3-(N-Benzyl-N-ethylamino)methylbenzene Synonym
- 3-(N-Benzyl-N-ethylamino)toluene Synonym
- N-Benzyl-N-ethyl-3-methylaniline Synonym
- N-Benzyl-N-ethyl-m-toluidine Synonym
- N-Ethyl-N-(m-tolyl)benzylamine Synonym
- N-Ethyl-N-benzyl-m-toluidine Synonym
- NSC 8089 Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 225.33 g/mol | CAS Common Chemistry |
| 225.33499999999998 g/mol | RDKit | |
| 225.335 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 |
| 3.01 Ų | chempirical lib | |
| LogP | 4.021520000000003 | RDKit |
| 4.0215 | RDKit | |
| Molar Refractivity | 74.34500000000006 cm³/mol | RDKit |
| Ring Count | 2 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.25 | RDKit |
| Exact Mass | 225.151749608 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 = 225.33 g/mol. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C16H19N.
