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4-(4-Methylphenoxy)Benzenamine
CAS: 41295-20-9 | C13H13NO
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
41295-20-9
Molecular Formula:
C13H13NO
Molecular Mass:
199.25 g/mol
Names and Synonyms:
4-(4-Methylphenoxy)Benzenamine
Benzenamine, 4-(4-methylphenoxy)-
4-(4-Methylphenoxy)benzenamine
p-(p-Tolyloxy)aniline
4-Amino-4′-methyldiphenyl ether
4-Aminophenyl 4-methylphenyl ether
4-(4-Methylphenoxy)aniline
NSC 509659
4-(4-Tolyloxy)aniline
4-(p-Tolyloxy)phenylamine
4-[(4-Methylphenyl)oxy]aniline
4-(p-Tolyloxy)aniline
Identifiers:
SMILES:
Cc1ccc(Oc2ccc(N)cc2)cc1
InChI:
InChI=1S/C13H13NO/c1-10-2-6-12(7-3-10)15-13-8-4-11(14)5-9-13/h2-9H,14H2,1H3
Key Properties
Melting Point
126 °C
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 | |
| Canonical SMILES | O(C1=CC=C(N)C=C1)C2=CC=C(C=C2)C | CAS Common Chemistry |
| InChI | InChI=1S/C13H13NO/c1-10-2-6-12(7-3-10)15-13-8-4-11(14)5-9-13/h2-9H,14H2,1H3 | CAS Common Chemistry |
| InChI Key | InChIKey=VPCGOYHSWIYEMO-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 126 °C | CAS Common Chemistry |
| Name | 4-(4-Methylphenoxy)benzenamine | 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 | 3.3695200000000005 | RDKit |
| Molar Refractivity | 62.10740000000003 | RDKit |
