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Molecule
Bis(4-Methoxyphenyl)Amine
CAS: 101-70-2 · C14H15NO2
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 101-70-2
- Molecular Formula
- C14H15NO2
- Molecular Mass
- 229.28 g/mol
Identifiers
CAS Registry Number
101-70-2
SMILES
COc1ccc(Nc2ccc(OC)cc2)cc1
InChI Key
VCOONNWIINSFBA-UHFFFAOYSA-N
InChI
InChI=1S/C14H15NO2/c1-16-13-7-3-11(4-8-13)15-12-5-9-14(17-2)10-6-12/h3-10,15H,1-2H3
Names and Synonyms
- Bis(4-Methoxyphenyl)Amine Synonym
- Benzenamine, 4-methoxy-N-(4-methoxyphenyl)- Synonym
- Diphenylamine, 4,4′-dimethoxy- Synonym
- 4-Methoxy-N-(4-methoxyphenyl)benzenamine Synonym
- p,p′-Dimethoxydiphenylamine Synonym
- 4,4′-Dimethoxydiphenylamine Synonym
- Di(p-methoxyphenyl)amine Synonym
- N-(p-Methoxyphenyl)-p-anisidine Synonym
- Bis(p-methoxyphenyl)amine Synonym
- Di-p-anisylamine Synonym
- Bis(p-anisyl)amine Synonym
- Difenam Synonym
- Bis(4-methoxyphenyl)amine Synonym
- Thermoflex Synonym
- Fenam M Synonym
- N,N-Bis(4-methoxyphenyl)amine Synonym
- N-(4-Methoxyphenyl)-p-anisidine Synonym
- Di(4-methoxyphenyl)amine Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 229.28 g/mol | CAS Common Chemistry |
| 229.279 g/mol | RDKit | |
| Canonical SMILES | O(C1=CC=C(C=C1)NC2=CC=C(OC)C=C2)C | CAS Common Chemistry |
| InChI | InChI=1S/C14H15NO2/c1-16-13-7-3-11(4-8-13)15-12-5-9-14(17-2)10-6-12/h3-10,15H,1-2H3 | CAS Common Chemistry |
| InChI Key | InChIKey=VCOONNWIINSFBA-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 103 °C | CAS Common Chemistry |
| Name | Bis(4-methoxyphenyl)amine | CAS Common Chemistry |
| Heavy Atom Count | 17 | RDKit |
| Hydrogen Bond Acceptors | 3 | RDKit |
| Hydrogen Bond Donors | 1 | RDKit |
| Rotatable Bonds | 4 | RDKit |
| Aromatic Ring Count | 2 | RDKit |
| Topological Polar Surface Area | 30.49 Ų | RDKit |
| LogP | 3.447400000000002 | RDKit |
| 3.4474 | RDKit | |
| Molar Refractivity | 69.27070000000003 cm³/mol | RDKit |
| Ring Count | 2 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.1429 | RDKit |
| 0.14 | chempirical lib | |
| Exact Mass | 229.11027872 g/mol | RDKit |
| Boiling Point | 250-255 °C @ 15 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.
External Resources
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MW = 229.28 g/mol. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C14H15NO2.
