Chemical Name - N-Benzylisopropylamine
Mol Weight - 149.236
Smiles - CC(C)NCc1ccccc1
Mol Weight - 149.236
Smiles - CC(C)NCc1ccccc1
| Property Value | |
| Mol Name | N-Benzylisopropylamine |
| Molweight | 149.236 |
| Monoisotopic Mass | 149.120449 |
| Clogp | 1.7816 |
| Clogs | -2.17 |
| H Acceptors | 1 |
| H Donors | 1 |
| Total Surface Area | 135.5 |
| Relative Psa | 0.084576 |
| Polar Surface Area | 12.03 |
| Druglikeness | 2.8114 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Shape Index | 0.72727 |
| Molecular Flexibility | 0.54759 |
| Molecular Complexity | 0.51299 |
| Fragments | 1 |
| Non H Atoms | 11 |
| Non Ch Atoms | 1 |
| Electronegative Atoms | 1 |
| Rotatable Bonds | 3 |
| Rings Closures | 1 |
| Small Rings | 1 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3 Atoms | 5 |
| Symmetric Atoms | 3 |
| Amines | 1 |
| Alkyl Amines | 1 |
| Basic Nitrogens | 1 |
| Smiles | CC(C)NCc1ccccc1 |
| InChIKey | InChI=1S/C10H15N/c1-9(2)11-8-10-6-4-3-5-7-10/h3-7,9,11H,8H2,1-2H3 |
| InChI | LYBKPDDZTNUNNM-UHFFFAOYSA-N |
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1 - N-Benzylisopropylamine
2 - N-Benzylisopropylamine
1 - N-Benzylisopropylamine
2 - N-Benzylisopropylamine
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