Mol Weight - 165.235
Smiles - CN(CCO)Cc1ccccc1
| Property Name | Property Value |
| Mol Name | N-methyl-N-benzyl ethanol amine |
| Molweight | 165.235 |
| Monoisotopic Mass | 165.115364 |
| Clogp | 0.7621 |
| Clogs | -0.923 |
| H Acceptors | 2 |
| H Donors | 1 |
| Total Surface Area | 143.45 |
| Relative Psa | 0.11607 |
| Polar Surface Area | 23.47 |
| Druglikeness | 3.5465 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Shape Index | 0.75 |
| Molecular Flexibility | 0.60736 |
| Molecular Complexity | 0.48173 |
| Fragments | 1 |
| Non H Atoms | 12 |
| Non Ch Atoms | 2 |
| Electronegative Atoms | 2 |
| Rotatable Bonds | 4 |
| Rings Closures | 1 |
| Small Rings | 1 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3 Atoms | 6 |
| Symmetric Atoms | 2 |
| Amines | 1 |
| Alkyl Amines | 1 |
| Basic Nitrogens | 1 |
| Smiles | CN(CCO)Cc1ccccc1 |
| InChIKey | InChI=1S/C10H15NO/c1-11(7-8-12)9-10-5-3-2-4-6-10/h2-6,12H,7-9H2,1H3 |
| InChI | WOUANPHGFPAJCA-UHFFFAOYSA-N |
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1 — N-methyl-N-benzyl ethanol amine | 2 — N-methyl-N-benzyl ethanol amine