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Molecule
2-(2-Methoxyphenoxy)-5-(Trifluoromethyl)Benzenamine
CAS: 175135-08-7 · C14H12F3NO2
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 175135-08-7
- Molecular Formula
- C14H12F3NO2
- Molecular Mass
- 283.25 g/mol
Identifiers
CAS Registry Number
175135-08-7
SMILES
COc1ccccc1Oc1ccc(C(F)(F)F)cc1N
InChI Key
PYNDGRAUAXTKAO-UHFFFAOYSA-N
InChI
InChI=1S/C14H12F3NO2/c1-19-12-4-2-3-5-13(12)20-11-7-6-9(8-10(11)18)14(15,16)17/h2-8H,18H2,1H3
Names and Synonyms
- 2-(2-Methoxyphenoxy)-5-(Trifluoromethyl)Benzenamine Synonym
- Benzenamine, 2-(2-methoxyphenoxy)-5-(trifluoromethyl)- Synonym
- 2-(2-Methoxyphenoxy)-5-(trifluoromethyl)benzenamine Synonym
- 2-(2-Methoxyphenoxy)-5-(trifluoromethyl)aniline Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 283.25 g/mol | CAS Common Chemistry |
| 283.24899999999997 g/mol | RDKit | |
| 283.249 g/mol | RDKit | |
| Canonical SMILES | FC(F)(F)C1=CC=C(OC=2C=CC=CC2OC)C(N)=C1 | CAS Common Chemistry |
| InChI | InChI=1S/C14H12F3NO2/c1-19-12-4-2-3-5-13(12)20-11-7-6-9(8-10(11)18)14(15,16)17/h2-8H,18H2,1H3 | CAS Common Chemistry |
| InChI Key | InChIKey=PYNDGRAUAXTKAO-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | 2-(2-Methoxyphenoxy)-5-(trifluoromethyl)benzenamine | CAS Common Chemistry |
| Heavy Atom Count | 20 | RDKit |
| Hydrogen Bond Acceptors | 3 | RDKit |
| Hydrogen Bond Donors | 1 | RDKit |
| Rotatable Bonds | 3 | RDKit |
| Aromatic Ring Count | 2 | RDKit |
| Topological Polar Surface Area | 44.480000000000004 Ų | RDKit |
| 44.48 Ų | RDKit | |
| LogP | 4.0885000000000025 | RDKit |
| 4.0885 | RDKit | |
| Molar Refractivity | 68.9244 cm³/mol | RDKit |
| Ring Count | 2 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.1429 | RDKit |
| 0.14 | chempirical lib | |
| Exact Mass | 283.082013284 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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| Shift (ppm) | Multiplicity | Integration | Assignment |
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200 ppm
180
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20
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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 = 283.25 g/mol. Edit any field — others recompute live.
