Chemical Name - N-Methylbenzylamine
Mol Weight - 121.182
Smiles - CNCc1ccccc1
Mol Weight - 121.182
Smiles - CNCc1ccccc1
| Property Value | |
| Mol Name | N-Methylbenzylamine |
| Molweight | 121.182 |
| Monoisotopic Mass | 121.089149 |
| Clogp | 1.016 |
| Clogs | -1.492 |
| H Acceptors | 1 |
| H Donors | 1 |
| Total Surface Area | 110.74 |
| Relative Psa | 0.10349 |
| Polar Surface Area | 12.03 |
| Druglikeness | 0.62337 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Shape Index | 0.77778 |
| Molecular Flexibility | 0.43711 |
| Molecular Complexity | 0.57565 |
| Fragments | 1 |
| Non H Atoms | 9 |
| Non Ch Atoms | 1 |
| Electronegative Atoms | 1 |
| Rotatable Bonds | 2 |
| Rings Closures | 1 |
| Small Rings | 1 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3 Atoms | 3 |
| Symmetric Atoms | 2 |
| Amines | 1 |
| Alkyl Amines | 1 |
| Basic Nitrogens | 1 |
| Smiles | CNCc1ccccc1 |
| InChIKey | InChI=1S/C8H11N/c1-9-7-8-5-3-2-4-6-8/h2-6,9H,7H2,1H3 |
| InChI | RIWRFSMVIUAEBX-UHFFFAOYSA-N |
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1 - N-Methylbenzylamine
2 - N-Methylbenzylamine
1 - N-Methylbenzylamine
2 - N-Methylbenzylamine
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