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Molecule
4-Fluoro-N-[[4-(Phenylmethoxy)Phenyl]Methylene]Benzenamine
CAS: 70627-52-0 · C20H16FNO
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 70627-52-0
- Molecular Formula
- C20H16FNO
- Molecular Mass
- 305.35 g/mol
Identifiers
CAS Registry Number
70627-52-0
SMILES
Fc1ccc(N=Cc2ccc(OCc3ccccc3)cc2)cc1
InChI Key
IWNBEFDVKWCBFY-UHFFFAOYSA-N
InChI
InChI=1S/C20H16FNO/c21-18-8-10-19(11-9-18)22-14-16-6-12-20(13-7-16)23-15-17-4-2-1-3-5-17/h1-14H,15H2
Names and Synonyms
- 4-Fluoro-N-[[4-(Phenylmethoxy)Phenyl]Methylene]Benzenamine Systematic Name
- Benzenamine, 4-fluoro-N-[[4-(phenylmethoxy)phenyl]methylene]- Synonym
- 4-Fluoro-N-[[4-(phenylmethoxy)phenyl]methylene]benzenamine Synonym
- 4-Benzyloxybenzylidene 4-fluoroaniline Synonym
- N-(4-(Benzyloxy)benzylidene)-4-fluoroaniline Synonym
- 1-(4-(Benzyloxy)phenyl)-N-(4-fluorophenyl)methanimine Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 305.35 g/mol | CAS Common Chemistry |
| 305.35200000000003 g/mol | RDKit | |
| 305.352 g/mol | RDKit | |
| Canonical SMILES | FC1=CC=C(N=CC2=CC=C(OCC=3C=CC=CC3)C=C2)C=C1 | CAS Common Chemistry |
| InChI | InChI=1S/C20H16FNO/c21-18-8-10-19(11-9-18)22-14-16-6-12-20(13-7-16)23-15-17-4-2-1-3-5-17/h1-14H,15H2 | CAS Common Chemistry |
| InChI Key | InChIKey=IWNBEFDVKWCBFY-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 132-133 °C | CAS Common Chemistry |
| Name | 4-Fluoro-N-[[4-(phenylmethoxy)phenyl]methylene]benzenamine | CAS Common Chemistry |
| Heavy Atom Count | 23 | RDKit |
| Hydrogen Bond Acceptors | 2 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 5 | RDKit |
| Aromatic Ring Count | 3 | RDKit |
| Topological Polar Surface Area | 21.59 Ų | RDKit |
| LogP | 5.155300000000004 | RDKit |
| 5.1553 | RDKit | |
| Molar Refractivity | 90.87000000000003 cm³/mol | RDKit |
| Ring Count | 3 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.05 | RDKit |
| Exact Mass | 305.121592352 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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200 ppm
180
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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 = 305.35 g/mol. Edit any field — others recompute live.
