TL;DR: (2S)-2-(3,4-dimethylphenyl)pyrrolidine (CAS 1217858-49-5) is a chemical compound with molecular formula C12H17N and molecular weight 175.1361 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(2S)-2-(3,4-dimethylphenyl)pyrrolidine
Also Known As: (2S)-2-(3,4-dimethylphenyl)pyrrolidine, (S)-2-(3,4-DIMETHYLPHENYL)PYRROLIDINE, 2-(3,4-dimethylphenyl)pyrrolidine
| Molecular Formula | C12H17N |
| Molecular Weight | 175.1361 g/mol |
| XLogP | 2.5 |
| Topological Polar Surface Area (TPSA) | 12.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 1 |
| Exact Mass | 175.1361 Da |
| Heavy Atoms | 13 |
| Complexity | 167.0 |
| SMILES | CC1=C(C=C(C=C1)[C@@H]2CCCN2)C |
| InChIKey | UWEGZHRBGMAQHN-LBPRGKRZSA-N |
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (2S)-2-(3,4-dimethylphenyl)pyrrolidine. With a topological polar surface area (TPSA) of 12.0 Ų, (2S)-2-(3,4-dimethylphenyl)pyrrolidine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (2S)-2-(3,4-dimethylphenyl)pyrrolidine has 1 hydrogen bond donor(s) and 1 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of (2S)-2-(3,4-dimethylphenyl)pyrrolidine is 1217858-49-5.
The molecular formula of (2S)-2-(3,4-dimethylphenyl)pyrrolidine is C12H17N.
The molecular weight of (2S)-2-(3,4-dimethylphenyl)pyrrolidine is 175.1361 g/mol.
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