Back to Search
Molecule
N-(4-Amino-5-Methoxy-2-Methylphenyl)Benzamide
CAS: 99-21-8 · C15H16N2O2
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 99-21-8
- Molecular Formula
- C15H16N2O2
- Molecular Mass
- 256.30 g/mol
Identifiers
CAS Registry Number
99-21-8
SMILES
COc1cc(N=C(O)c2ccccc2)c(C)cc1N
InChI Key
VENDXQNWODZJGB-UHFFFAOYSA-N
InChI
InChI=1S/C15H16N2O2/c1-10-8-12(16)14(19-2)9-13(10)17-15(18)11-6-4-3-5-7-11/h3-9H,16H2,1-2H3,(H,17,18)
Names and Synonyms
- N-(4-Amino-5-Methoxy-2-Methylphenyl)Benzamide Common Name
- Benzamide, N-(4-amino-5-methoxy-2-methylphenyl)- Synonym
- m-Benzanisidide, 4′-amino-6′-methyl- Synonym
- N-(4-Amino-5-methoxy-2-methylphenyl)benzamide Synonym
- 3-Amino-6-benzoylamido-4-methoxy-1-methylbenzol Synonym
- 4′-Amino-6′-methyl-m-benzanisidide Synonym
- 4-Amino-1-benzoylamino-3-methoxy-6-methylbenzene Synonym
- Fast Violet B Synonym
- N-(2-Methyl-5-methoxy-4-aminophenyl)benzamide Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 256.30 g/mol | CAS Common Chemistry |
| 256.305 g/mol | RDKit | |
| Canonical SMILES | O=C(NC1=CC(OC)=C(N)C=C1C)C=2C=CC=CC2 | CAS Common Chemistry |
| InChI | InChI=1S/C15H16N2O2/c1-10-8-12(16)14(19-2)9-13(10)17-15(18)11-6-4-3-5-7-11/h3-9H,16H2,1-2H3,(H,17,18) | CAS Common Chemistry |
| InChI Key | InChIKey=VENDXQNWODZJGB-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 185 °C | CAS Common Chemistry |
| Name | N-(4-Amino-5-methoxy-2-methylphenyl)benzamide | CAS Common Chemistry |
| Heavy Atom Count | 19 | RDKit |
| Hydrogen Bond Acceptors | 3 | RDKit |
| Hydrogen Bond Donors | 2 | RDKit |
| Rotatable Bonds | 3 | RDKit |
| Aromatic Ring Count | 2 | RDKit |
| Topological Polar Surface Area | 67.84 Ų | RDKit |
| LogP | 3.222120000000001 | RDKit |
| 3.2221 | RDKit | |
| Molar Refractivity | 77.41120000000004 cm³/mol | RDKit |
| Ring Count | 2 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.1333 | RDKit |
| 0.13 | chempirical lib | |
| Exact Mass | 256.121177752 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 = 256.30 g/mol. Edit any field — others recompute live.
