Chemical Name - N-benzylethanolamine
Mol Weight - 151.208
Smiles - OCCNCc1ccccc1
Mol Weight - 151.208
Smiles - OCCNCc1ccccc1
| Property Value | |
| Mol Name | N-benzylethanolamine |
| Molweight | 151.208 |
| Monoisotopic Mass | 151.099714 |
| Clogp | 0.4956 |
| Clogs | -1.285 |
| H Acceptors | 2 |
| H Donors | 2 |
| Total Surface Area | 132.35 |
| Relative Psa | 0.18557 |
| Polar Surface Area | 32.26 |
| Druglikeness | -0.25466 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Shape Index | 0.81818 |
| Molecular Flexibility | 0.56442 |
| Molecular Complexity | 0.51299 |
| Fragments | 1 |
| Non H Atoms | 11 |
| Non Ch Atoms | 2 |
| Electronegative Atoms | 2 |
| Rotatable Bonds | 4 |
| Rings Closures | 1 |
| Small Rings | 1 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3 Atoms | 5 |
| Symmetric Atoms | 2 |
| Amines | 1 |
| Alkyl Amines | 1 |
| Basic Nitrogens | 1 |
| Smiles | OCCNCc1ccccc1 |
| InChIKey | InChI=1S/C9H13NO/c11-7-6-10-8-9-4-2-1-3-5-9/h1-5,10-11H,6-8H2 |
| InChI | XNIOWJUQPMKCIJ-UHFFFAOYSA-N |
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1 - N-benzylethanolamine
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1 - N-benzylethanolamine
2 - N-benzylethanolamine
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