TL;DR: N-(2-(p-bromophenoxy)ethyl)pyrrolidine (CAS 1081-73-8) is a chemical compound with molecular formula C12H16BrNO and molecular weight 269.04153 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-[2-(4-bromophenoxy)ethyl]pyrrolidine
Also Known As: 1-(2-(4-bromophenoxy)ethyl)pyrrolidine, 1-[2-(4-Bromophenoxy)ethyl]pyrrolidine, n-[2-(4-bromophenoxy)ethyl]pyrrolidine, 4-[2-Pyrrolidinoethoxy]phenyl bromide, N-(2-(p-Bromophenoxy)ethyl)pyrrolidine
Top 5 of 7 IPC patent classification(s) from the SureChEMBL global patent database.
| Molecular Formula | C12H16BrNO |
| Molecular Weight | 269.04153 g/mol |
| XLogP | 3.1 |
| Topological Polar Surface Area (TPSA) | 12.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 269.04153 Da |
| Heavy Atoms | 15 |
| Complexity | 174.0 |
| SMILES | C1CCN(C1)CCOC2=CC=C(C=C2)Br |
| InChIKey | YDWKSSWZGXRQET-UHFFFAOYSA-N |
The XLogP value of 3.1 indicates that N-(2-(p-bromophenoxy)ethyl)pyrrolidine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 12.5 Ų, N-(2-(p-bromophenoxy)ethyl)pyrrolidine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-(2-(p-bromophenoxy)ethyl)pyrrolidine has 0 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of N-(2-(p-bromophenoxy)ethyl)pyrrolidine is 1081-73-8.
The molecular formula of N-(2-(p-bromophenoxy)ethyl)pyrrolidine is C12H16BrNO.
The molecular weight of N-(2-(p-bromophenoxy)ethyl)pyrrolidine is 269.04153 g/mol.
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