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Molecule
4-Methoxy-2-Methyl-N-Phenylbenzenamine
CAS: 41317-15-1 · C14H15NO
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 41317-15-1
- Molecular Formula
- C14H15NO
- Molecular Mass
- 213.28 g/mol
Identifiers
CAS Registry Number
41317-15-1
SMILES
COc1ccc(Nc2ccccc2)c(C)c1
InChI Key
CYMPUOGZUXAIMY-UHFFFAOYSA-N
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
Names and Synonyms
- 4-Methoxy-2-Methyl-N-Phenylbenzenamine Systematic Name
- Benzenamine, 4-methoxy-2-methyl-N-phenyl- Synonym
- p-Anisidine, 2-methyl-N-phenyl- Synonym
- 4-Methoxy-2-methyl-N-phenylbenzenamine Synonym
- 2-Methyl-4-methoxydiphenylamine Synonym
- 3-Methoxy-6-anilinotoluene Synonym
- 4-Methoxy-2-methyldiphenylamine Synonym
- 6-Anilino-3-methoxytoluene Synonym
- N-(2-Methyl-4-methoxyphenyl)aniline Synonym
- 4-Methoxy-2-methyl-N-phenylaniline Synonym
- N-(4-Methoxy-2-methylphenyl)-N-phenylamine Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 213.28 g/mol | 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 |
| 21.26 Ų | RDKit | |
| LogP | 3.747220000000002 | RDKit |
| 3.7472 | RDKit | |
| Molar Refractivity | 67.45570000000004 cm³/mol | RDKit |
| Ring Count | 2 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.1429 | RDKit |
| 0.14 | chempirical lib | |
| Exact Mass | 213.1153641 g/mol | RDKit |
| Boiling Point | 165-171 °C @ 4 Torr | CAS Common Chemistry |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
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200 ppm
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| 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.
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MW = 213.28 g/mol. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C14H15NO.
