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Molecule
2-Methoxy-3-Dibenzofuranamine
CAS: 5834-17-3 · C13H11NO2
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 5834-17-3
- Molecular Formula
- C13H11NO2
- Molecular Mass
- 213.24 g/mol
Identifiers
CAS Registry Number
5834-17-3
SMILES
COc1cc2c(cc1N)oc1ccccc12
InChI Key
SGQVWNYSHWQNOS-UHFFFAOYSA-N
InChI
InChI=1S/C13H11NO2/c1-15-13-6-9-8-4-2-3-5-11(8)16-12(9)7-10(13)14/h2-7H,14H2,1H3
Names and Synonyms
- 2-Methoxy-3-Dibenzofuranamine Systematic Name
- 3-Dibenzofuranamine, 2-methoxy- Synonym
- 2-Methoxy-3-dibenzofuranamine Synonym
- 3-Amino-2-methoxydibenzofuran Synonym
- 2-Methoxy-3-aminodibenzofuran Synonym
- (2-Methoxydibenzofuran-3-yl)amine Synonym
- 3-Amino-2-methoxybenzofuran Synonym
- 2-Methoxydibenzo[b,d]furan-3-amine Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 213.24 g/mol | CAS Common Chemistry |
| 213.23600000000002 g/mol | RDKit | |
| 213.236 g/mol | RDKit | |
| 214.244 g/mol | chempirical lib | |
| Canonical SMILES | O1C=2C=CC=CC2C=3C=C(OC)C(N)=CC13 | CAS Common Chemistry |
| InChI | InChI=1S/C13H11NO2/c1-15-13-6-9-8-4-2-3-5-11(8)16-12(9)7-10(13)14/h2-7H,14H2,1H3 | CAS Common Chemistry |
| InChI Key | InChIKey=SGQVWNYSHWQNOS-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 93 °C | CAS Common Chemistry |
| Name | 2-Methoxy-3-dibenzofuranamine | CAS Common Chemistry |
| Heavy Atom Count | 16 | RDKit |
| Hydrogen Bond Acceptors | 3 | RDKit |
| Hydrogen Bond Donors | 1 | RDKit |
| Rotatable Bonds | 1 | RDKit |
| Aromatic Ring Count | 3 | RDKit |
| Topological Polar Surface Area | 48.39 Ų | RDKit |
| 44.48 Ų | chempirical lib | |
| LogP | 3.176800000000001 | RDKit |
| 3.1768 | RDKit | |
| Molar Refractivity | 64.68440000000002 cm³/mol | RDKit |
| Ring Count | 3 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.0769 | RDKit |
| Exact Mass | 213.078978592 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
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200 ppm
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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 = 213.24 g/mol. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C13H11NO2.
