TL;DR: Pyrrolidine, 1-butyl-2-((4-chloro-3-(difluoromethyl)phenyl)imino)- (CAS 152722-42-4) is a chemical compound with molecular formula C15H19ClF2N2 and molecular weight 300.12048 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-butyl-N-[4-chloro-3-(difluoromethyl)phenyl]pyrrolidin-2-imine
Also Known As: Pyrrolidine, 1-butyl-2-((4-chloro-3-(difluoromethyl)phenyl)imino)-, 1-(1-Butyl-2-pyrrolidinylidene)-4-chloro-3-(difluoromethyl)benzenamine, Benzenamine, 1-(1-butyl-2-pyrrolidinylidene)-4-chloro-3-(difluoromethyl)-, n-[(2e)-1-butylpyrrolidin-2-ylidene]-4-chloro-3-(difluoromethyl)aniline, 1-butyl-N-[4-chloro-3-(difluoromethyl)phenyl]pyrrolidin-2-imine
Top 5 of 1 IPC patent classification(s) from the SureChEMBL global patent database.
| Molecular Formula | C15H19ClF2N2 |
| Molecular Weight | 300.12048 g/mol |
| XLogP | 4.1 |
| Topological Polar Surface Area (TPSA) | 15.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 300.12048 Da |
| Heavy Atoms | 20 |
| Complexity | 336.0 |
| SMILES | CCCCN1CCCC1=NC2=CC(=C(C=C2)Cl)C(F)F |
| InChIKey | VKFGXVUUFZNRSI-UHFFFAOYSA-N |
The XLogP value of 4.1 indicates that Pyrrolidine, 1-butyl-2-((4-chloro-3-(difluoromethyl)phenyl)imino)- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 15.6 Ų, Pyrrolidine, 1-butyl-2-((4-chloro-3-(difluoromethyl)phenyl)imino)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Pyrrolidine, 1-butyl-2-((4-chloro-3-(difluoromethyl)phenyl)imino)- has 0 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of Pyrrolidine, 1-butyl-2-((4-chloro-3-(difluoromethyl)phenyl)imino)- is 152722-42-4.
The molecular formula of Pyrrolidine, 1-butyl-2-((4-chloro-3-(difluoromethyl)phenyl)imino)- is C15H19ClF2N2.
The molecular weight of Pyrrolidine, 1-butyl-2-((4-chloro-3-(difluoromethyl)phenyl)imino)- is 300.12048 g/mol.
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