Mol Weight - 225.334
Smiles - CCN(Cc1ccccc1)c1cc(C)ccc1
| Property Name | Property Value |
| Mol Name | N-ethyl-n-benzyl-meta-toluidine |
| Molweight | 225.334 |
| Monoisotopic Mass | 225.151749 |
| Clogp | 3.7243 |
| Clogs | -3.619 |
| H Acceptors | 1 |
| Total Surface Area | 195.36 |
| Relative Psa | 0.018172 |
| Polar Surface Area | 3.24 |
| Druglikeness | 3.2472 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Shape Index | 0.58824 |
| Molecular Flexibility | 0.49975 |
| Molecular Complexity | 0.58491 |
| Fragments | 1 |
| Non H Atoms | 17 |
| Non Ch Atoms | 1 |
| Electronegative Atoms | 1 |
| Rotatable Bonds | 4 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3 Atoms | 4 |
| Symmetric Atoms | 2 |
| Amines | 1 |
| Aromatic Amines | 1 |
| Smiles | CCN(Cc1ccccc1)c1cc(C)ccc1 |
| InChIKey | InChI=1S/C16H19N/c1-3-17(13-15-9-5-4-6-10-15)16-11-7-8-14(2)12-16/h4-12H,3,13H2,1-2H3 |
| InChI | VIACAIAQHPLINF-UHFFFAOYSA-N |
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1 — N-ethyl-n-benzyl-meta-toluidine | 2 — N-ethyl-n-benzyl-meta-toluidine