TL;DR: 1-(2,3-Dihydrobenzo[b][1,4]dioxin-6-yl)-4-phenylbutan-1-amine (CAS 127476-26-0) is a chemical compound with molecular formula C18H21NO2 and molecular weight 283.15723 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-phenylbutan-1-amine
Also Known As: Conantokin-T, 1-(2,3-Dihydrobenzo[b][1,4]dioxin-6-yl)-4-phenylbutan-1-amine, 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-phenylbutan-1-amine, 1-(2,3-Dihydro-benzo[1,4]dioxin-6-yl)-4-phenyl-butylamine, 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-phenyl-1-butanamine
| Molecular Formula | C18H21NO2 |
| Molecular Weight | 283.15723 g/mol |
| XLogP | 3.2 |
| Topological Polar Surface Area (TPSA) | 44.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 283.15723 Da |
| Heavy Atoms | 21 |
| Complexity | 304.0 |
| SMILES | C1COC2=C(O1)C=CC(=C2)C(CCCC3=CC=CC=C3)N |
| InChIKey | NQYPVUDQHVXWEJ-UHFFFAOYSA-N |
The XLogP value of 3.2 indicates that 1-(2,3-Dihydrobenzo[b][1,4]dioxin-6-yl)-4-phenylbutan-1-amine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 44.5 Ų, 1-(2,3-Dihydrobenzo[b][1,4]dioxin-6-yl)-4-phenylbutan-1-amine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(2,3-Dihydrobenzo[b][1,4]dioxin-6-yl)-4-phenylbutan-1-amine has 1 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 1-(2,3-Dihydrobenzo[b][1,4]dioxin-6-yl)-4-phenylbutan-1-amine is 127476-26-0.
The molecular formula of 1-(2,3-Dihydrobenzo[b][1,4]dioxin-6-yl)-4-phenylbutan-1-amine is C18H21NO2.
The molecular weight of 1-(2,3-Dihydrobenzo[b][1,4]dioxin-6-yl)-4-phenylbutan-1-amine is 283.15723 g/mol.
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