Back to Search
Molecule
5-Methoxy-2-Methylaniline
CAS: 50868-72-9 · C8H11NO
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 50868-72-9
- Molecular Formula
- C8H11NO
- Molecular Mass
- 137.18 g/mol
Identifiers
CAS Registry Number
50868-72-9
SMILES
COc1ccc(C)c(N)c1
InChI Key
RPJXLEZOFUNGNZ-UHFFFAOYSA-N
InChI
InChI=1S/C8H11NO/c1-6-3-4-7(10-2)5-8(6)9/h3-5H,9H2,1-2H3
Names and Synonyms
- 5-Methoxy-2-Methylaniline Synonym
- Benzenamine, 5-methoxy-2-methyl- Synonym
- 5-Methoxy-2-methylbenzenamine Synonym
- 5-Methoxy-2-methylaniline Synonym
- 2-Methyl-5-methoxyaniline Synonym
- 3-Amino-4-methylanisole Synonym
- 3-Methoxy-6-methylaniline Synonym
- NSC 229308 Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 137.18 g/mol | CAS Common Chemistry |
| 137.18200000000002 g/mol | RDKit | |
| 137.182 g/mol | RDKit | |
| Boiling Point | 253 °C | CAS Common Chemistry |
| Canonical SMILES | O(C1=CC=C(C(N)=C1)C)C | CAS Common Chemistry |
| InChI | InChI=1S/C8H11NO/c1-6-3-4-7(10-2)5-8(6)9/h3-5H,9H2,1-2H3 | CAS Common Chemistry |
| InChI Key | InChIKey=RPJXLEZOFUNGNZ-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 47 °C | CAS Common Chemistry |
| Name | 5-Methoxy-2-methylaniline | CAS Common Chemistry |
| Heavy Atom Count | 10 | RDKit |
| Hydrogen Bond Acceptors | 2 | RDKit |
| Hydrogen Bond Donors | 1 | RDKit |
| Rotatable Bonds | 1 | RDKit |
| Aromatic Ring Count | 1 | RDKit |
| Topological Polar Surface Area | 35.25 Ų | RDKit |
| LogP | 1.5858199999999998 | RDKit |
| 1.5858 | RDKit | |
| Molar Refractivity | 42.14340000000001 cm³/mol | RDKit |
| Ring Count | 1 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.25 | RDKit |
| Exact Mass | 137.084063972 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
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.
External Resources
Convert
Quick conversion
MW = 137.18 g/mol. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C8H11NO.
