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Molecule
3-[(2-Methylphenyl)Amino]Phenol
CAS: 6264-98-8 · C13H13NO
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 6264-98-8
- Molecular Formula
- C13H13NO
- Molecular Mass
- 199.25 g/mol
Identifiers
CAS Registry Number
6264-98-8
SMILES
Cc1ccccc1Nc1cccc(O)c1
InChI Key
SUHWXARLXCIBFK-UHFFFAOYSA-N
InChI
InChI=1S/C13H13NO/c1-10-5-2-3-8-13(10)14-11-6-4-7-12(15)9-11/h2-9,14-15H,1H3
Names and Synonyms
- 3-[(2-Methylphenyl)Amino]Phenol Synonym
- Phenol, 3-[(2-methylphenyl)amino]- Synonym
- Phenol, m-(o-toluidino)- Synonym
- 3-[(2-Methylphenyl)amino]phenol Synonym
- m-(o-Toluidino)phenol Synonym
- 3-Hydroxy-2′-methyldiphenylamine Synonym
- 3-(2-Methylanilino)phenol Synonym
- 2-Methyl-3′-hydroxydiphenylamine Synonym
- 3-o-Tolylamino-phenol Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 199.25 g/mol | CAS Common Chemistry |
| 199.25300000000001 g/mol | RDKit | |
| 199.253 g/mol | RDKit | |
| Canonical SMILES | OC1=CC=CC(=C1)NC=2C=CC=CC2C | CAS Common Chemistry |
| InChI | InChI=1S/C13H13NO/c1-10-5-2-3-8-13(10)14-11-6-4-7-12(15)9-11/h2-9,14-15H,1H3 | CAS Common Chemistry |
| InChI Key | InChIKey=SUHWXARLXCIBFK-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | 3-[(2-Methylphenyl)amino]phenol | CAS Common Chemistry |
| Heavy Atom Count | 15 | RDKit |
| Hydrogen Bond Acceptors | 2 | RDKit |
| Hydrogen Bond Donors | 2 | RDKit |
| Rotatable Bonds | 2 | RDKit |
| Aromatic Ring Count | 2 | RDKit |
| Topological Polar Surface Area | 32.26 Ų | RDKit |
| LogP | 3.4442200000000014 | RDKit |
| 3.4442 | RDKit | |
| Molar Refractivity | 62.56850000000003 cm³/mol | RDKit |
| Ring Count | 2 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.0769 | RDKit |
| 0.08 | chempirical lib | |
| Exact Mass | 199.099714036 g/mol | RDKit |
| Boiling Point | 187 °C @ 2 Torr | CAS Common Chemistry |
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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| 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 = 199.25 g/mol. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C13H13NO.
