Back to Search
2-(O-Tolyloxy)Aniline
CAS: 3840-18-4 | C13H13NO
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
3840-18-4
Molecular Formula:
C13H13NO
Molecular Mass:
199.25 g/mol
Names and Synonyms:
2-(O-Tolyloxy)Aniline
Benzenamine, 2-(2-methylphenoxy)-
Aniline, o-(o-tolyloxy)-
2-(2-Methylphenoxy)benzenamine
o-(o-Tolyloxy)aniline
2-Amino-2′-methyldiphenyl ether
2-(o-Tolyloxy)aniline
NSC 163942
2-(o-Tolyloxy)benzenamine
2-(2-Methylphenoxy)aniline
Identifiers:
SMILES:
Cc1ccccc1Oc1ccccc1N
InChI:
InChI=1S/C13H13NO/c1-10-6-2-4-8-12(10)15-13-9-5-3-7-11(13)14/h2-9H,14H2,1H3
Key Properties
Boiling Point
110 °C @ Press: 0.015 Torr
CAS Common Chemistry
Spectral Data
NMR, IR, and Mass spectral data
1H NMR
13C NMR
Predicting NMR spectra...
10 ppm
9
8
7
6
5
4
3
2
1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
160
140
120
100
80
60
40
20
0 ppm
| Shift (ppm) | DEPT | Assignment |
|---|
Note: These NMR spectra are predicted computationally and may differ from experimental data. Predictions are based on chemical environment analysis.
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 199.25 g/mol | CAS Common Chemistry |
| 199.25300000000001 g/mol | RDKit | |
| 199.099714036 g/mol | RDKit | |
| Boiling Point | 110 °C @ Press: 0.015 Torr | CAS Common Chemistry |
| Canonical SMILES | O(C=1C=CC=CC1N)C=2C=CC=CC2C | CAS Common Chemistry |
| InChI | InChI=1S/C13H13NO/c1-10-6-2-4-8-12(10)15-13-9-5-3-7-11(13)14/h2-9H,14H2,1H3 | CAS Common Chemistry |
| InChI Key | InChIKey=JYJPXACGURQSCB-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | 2-(o-Tolyloxy)aniline | CAS Common Chemistry |
| Heavy Atom Count | 15 | RDKit |
| Hydrogen Bond Acceptors | 2 | RDKit |
| Hydrogen Bond Donors | 1 | RDKit |
| Rotatable Bonds | 2 | RDKit |
| Aromatic Ring Count | 2 | RDKit |
| Topological Polar Surface Area | 35.25 Ų | RDKit |
| LogP | 3.3695200000000014 | RDKit |
| Molar Refractivity | 62.10740000000003 | RDKit |
