Back to Search
4-Methoxy-2-Methyl-N-Phenylbenzenamine
CAS: 41317-15-1 | C14H15NO
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
41317-15-1
Molecular Formula:
C14H15NO
Molecular Mass:
213.28 g/mol
Names and Synonyms:
4-Methoxy-2-Methyl-N-Phenylbenzenamine
Benzenamine, 4-methoxy-2-methyl-N-phenyl-
p-Anisidine, 2-methyl-N-phenyl-
4-Methoxy-2-methyl-N-phenylbenzenamine
2-Methyl-4-methoxydiphenylamine
3-Methoxy-6-anilinotoluene
4-Methoxy-2-methyldiphenylamine
6-Anilino-3-methoxytoluene
N-(2-Methyl-4-methoxyphenyl)aniline
4-Methoxy-2-methyl-N-phenylaniline
N-(4-Methoxy-2-methylphenyl)-N-phenylamine
Identifiers:
SMILES:
COc1ccc(Nc2ccccc2)c(C)c1
InChI:
InChI=1S/C14H15NO/c1-11-10-13(16-2)8-9-14(11)15-12-6-4-3-5-7-12/h3-10,15H,1-2H3
Key Properties
Boiling Point
165-171 °C @ Press: 4 Torr
CAS Common Chemistry
Melting Point
82 °C
CAS Common Chemistry
Spectral Data
NMR, IR, and Mass spectral data
1H NMR
13C NMR
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.
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 213.28 g/mol | CAS Common Chemistry |
| 213.1153641 g/mol | RDKit | |
| Boiling Point | 165-171 °C @ Press: 4 Torr | CAS Common Chemistry |
| Canonical SMILES | O(C1=CC=C(NC=2C=CC=CC2)C(=C1)C)C | CAS Common Chemistry |
| InChI | InChI=1S/C14H15NO/c1-11-10-13(16-2)8-9-14(11)15-12-6-4-3-5-7-12/h3-10,15H,1-2H3 | CAS Common Chemistry |
| InChI Key | InChIKey=CYMPUOGZUXAIMY-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 82 °C | CAS Common Chemistry |
| Name | 4-Methoxy-2-methyl-N-phenylbenzenamine | CAS Common Chemistry |
| Heavy Atom Count | 16 | RDKit |
| Hydrogen Bond Acceptors | 2 | RDKit |
| Hydrogen Bond Donors | 1 | RDKit |
| Rotatable Bonds | 3 | RDKit |
| Aromatic Ring Count | 2 | RDKit |
| Topological Polar Surface Area | 21.259999999999998 Ų | RDKit |
| LogP | 3.747220000000002 | RDKit |
| Molar Refractivity | 67.45570000000004 | RDKit |
