| MolName | (2R)-1-[[(3R)-1-benzylpyrrolidin-3-yl]amino]-3-[(2-chlorophenyl)methoxy]propan-2-ol |
| MolecularFormula | C21H27N2O2Cl |
| Smiles | O[C@H](CN[C@H]1CN(Cc2ccccc2)CC1)COCc(cccc1)c1Cl |
| InChI | InChI=1S/C21H27ClN2O2/c22-21-9-5-4-8-18(21)15-26-16-20(25)12-23-19-10-11-24(14-19)13-17-6-2-1-3-7-17/h1-9,19-20,23,25H,10-16H2/t19-,20-/m1/s1 |
| InChIK | MUEYAUWEPNBHHO-WOJBJXKFSA-N |
| TotalMolweight | 374.91 |
| Molweight | 374.91 |
| MonoisotopicMass | 374.176105 |
| CLogP | 2.5393 |
| CLogS | -3.26 |
| H Acceptors | 4 |
| H Donors | 2 |
| TotalSurfaceArea | 294.37 |
| Relative PSA | 0.12946 |
| PolarSurfaceArea | 44.73 |
| Druglikeness | 3.4814 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.69231 |
| Fragments | 1 |
| Non HAtoms | 26 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| StereoCenters | 2 |
| Rotatable Bond | 9 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 13 |
| Symmetricatoms | 2 |
| Amines | 2 |
| AlkylAmines | 2 |
| BasicNitrogens | 2 |
| StereoCon | this enantiomer |
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1 - (2R)-1-[[(3R)-1-benzylpyrrolidin-3-yl]amino]-3-[(2-chlorophenyl)methoxy]propan-2-ol | 2 - (2R)-1-[[(3R)-1-benzylpyrrolidin-3-yl]amino]-3-[(2-chlorophenyl)methoxy]propan-2-ol