TL;DR: Benzenamine, 4-(3-(4-(3-methoxyphenyl)-1-piperazinyl)propoxy)- (CAS 85868-47-9) is a chemical compound with molecular formula C20H27N3O2 and molecular weight 341.21033 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
4-[3-[4-(3-methoxyphenyl)piperazin-1-yl]propoxy]aniline
Also Known As: BENZENAMINE, 4-(3-(4-(3-METHOXYPHENYL)-1-PIPERAZINYL)PROPOXY)-, 4-(3-(4-(3-Methoxyphenyl)-1-piperazinyl)propoxy)benzenamine, 4-[3-[4-(3-methoxyphenyl)piperazin-1-yl]propoxy]aniline, 4-{3-[4-(3-methoxyphenyl)piperazin-1-yl]propoxy}aniline, BRN 4551726
| Molecular Formula | C20H27N3O2 |
| Molecular Weight | 341.21033 g/mol |
| XLogP | 3.2 |
| Topological Polar Surface Area (TPSA) | 51.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 341.21033 Da |
| Heavy Atoms | 25 |
| Complexity | 366.0 |
| SMILES | COC1=CC=CC(=C1)N2CCN(CC2)CCCOC3=CC=C(C=C3)N |
| InChIKey | CBORVFNRJBBETR-UHFFFAOYSA-N |
The XLogP value of 3.2 indicates that Benzenamine, 4-(3-(4-(3-methoxyphenyl)-1-piperazinyl)propoxy)- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 51.0 Ų, Benzenamine, 4-(3-(4-(3-methoxyphenyl)-1-piperazinyl)propoxy)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzenamine, 4-(3-(4-(3-methoxyphenyl)-1-piperazinyl)propoxy)- has 1 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of Benzenamine, 4-(3-(4-(3-methoxyphenyl)-1-piperazinyl)propoxy)- is 85868-47-9.
The molecular formula of Benzenamine, 4-(3-(4-(3-methoxyphenyl)-1-piperazinyl)propoxy)- is C20H27N3O2.
The molecular weight of Benzenamine, 4-(3-(4-(3-methoxyphenyl)-1-piperazinyl)propoxy)- is 341.21033 g/mol.
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