N-(1-Butyl-2-pyrrolidinylidene)-3-chloro-4-fluorobenzenamine
TL;DR: N-(1-Butyl-2-pyrrolidinylidene)-3-chloro-4-fluorobenzenamine (CAS 152685-91-1) is a chemical compound with molecular formula C14H18ClFN2 and molecular weight 268.11426 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-butyl-N-(3-chloro-4-fluorophenyl)pyrrolidin-2-imine
Also Known As: N-(1-Butyl-2-pyrrolidinylidene)-3-chloro-4-fluorobenzenamine, Pyrrolidine, 1-butyl-2-((3-chloro-4-fluorophenyl)imino)-, Benzenamine, N-(1-butyl-2-pyrrolidinylidene)-3-chloro-4-fluoro-, 1-butyl-N-(3-chloro-4-fluorophenyl)pyrrolidin-2-imine, n-[(2e)-1-butylpyrrolidin-2-ylidene]-3-chloro-4-fluoroaniline
Technical Specifications
| Molecular Formula | C14H18ClFN2 |
| Molecular Weight | 268.11426 g/mol |
| XLogP | 3.6 |
| Topological Polar Surface Area (TPSA) | 15.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 268.11426 Da |
| Heavy Atoms | 18 |
| Complexity | 296.0 |
| SMILES | CCCCN1CCCC1=NC2=CC(=C(C=C2)F)Cl |
| InChIKey | ZPEMBYAYPAYOFZ-UHFFFAOYSA-N |
Chemical Property Profile of N-(1-Butyl-2-pyrrolidinylidene)-3-chloro-4-fluorobenzenamine
Property Insights of N-(1-Butyl-2-pyrrolidinylidene)-3-chloro-4-fluorobenzenamine
The XLogP value of 3.6 indicates that N-(1-Butyl-2-pyrrolidinylidene)-3-chloro-4-fluorobenzenamine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 15.6 Ų, N-(1-Butyl-2-pyrrolidinylidene)-3-chloro-4-fluorobenzenamine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-(1-Butyl-2-pyrrolidinylidene)-3-chloro-4-fluorobenzenamine has 0 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of N-(1-Butyl-2-pyrrolidinylidene)-3-chloro-4-fluorobenzenamine?
The CAS number of N-(1-Butyl-2-pyrrolidinylidene)-3-chloro-4-fluorobenzenamine is 152685-91-1.
What is the molecular formula of N-(1-Butyl-2-pyrrolidinylidene)-3-chloro-4-fluorobenzenamine?
The molecular formula of N-(1-Butyl-2-pyrrolidinylidene)-3-chloro-4-fluorobenzenamine is C14H18ClFN2.
What is the molecular weight of N-(1-Butyl-2-pyrrolidinylidene)-3-chloro-4-fluorobenzenamine?
The molecular weight of N-(1-Butyl-2-pyrrolidinylidene)-3-chloro-4-fluorobenzenamine is 268.11426 g/mol.
Where can I buy N-(1-Butyl-2-pyrrolidinylidene)-3-chloro-4-fluorobenzenamine?
You can request a quote for N-(1-Butyl-2-pyrrolidinylidene)-3-chloro-4-fluorobenzenamine directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for N-(1-Butyl-2-pyrrolidinylidene)-3-chloro-4-fluorobenzenamine?
Yes, CoreyChem provides custom synthesis services for N-(1-Butyl-2-pyrrolidinylidene)-3-chloro-4-fluorobenzenamine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.