TL;DR: Pyrrolidine, 3-(diphenylmethoxy)-1-isobutyl-, hydrochloride (CAS 102584-46-3) is a chemical compound with molecular formula C21H28ClNO and molecular weight 345.18594 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-benzhydryloxy-1-(2-methylpropyl)pyrrolidine;hydrochloride
Also Known As: AHR 166, 3-(Diphenylmethoxy)-1-isobutylpyrrolidine hydrochloride, Pyrrolidine, 3-(diphenylmethoxy)-1-isobutyl-, hydrochloride, 3-benzhydryloxy-1-(2-methylpropyl)pyrrolidine hydrochloride, 3-(Diphenylmethoxy)-1-(2-methylpropyl)pyrrolidine--hydrogen chloride (1/1)
| Molecular Formula | C21H28ClNO |
| Molecular Weight | 345.18594 g/mol |
| XLogP | 4.9447 |
| Topological Polar Surface Area (TPSA) | 12.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 6 |
| Exact Mass | 345.18594 Da |
| Heavy Atoms | 24 |
| Complexity | 313.0 |
| SMILES | CC(C)CN1CCC(C1)OC(C2=CC=CC=C2)C3=CC=CC=C3.Cl |
| InChIKey | FZFYLGNRKIOMFY-UHFFFAOYSA-N |
The XLogP value of 4.9447 indicates that Pyrrolidine, 3-(diphenylmethoxy)-1-isobutyl-, hydrochloride is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 12.5 Ų, Pyrrolidine, 3-(diphenylmethoxy)-1-isobutyl-, hydrochloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Pyrrolidine, 3-(diphenylmethoxy)-1-isobutyl-, hydrochloride has 1 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 Pyrrolidine, 3-(diphenylmethoxy)-1-isobutyl-, hydrochloride is 102584-46-3.
The molecular formula of Pyrrolidine, 3-(diphenylmethoxy)-1-isobutyl-, hydrochloride is C21H28ClNO.
The molecular weight of Pyrrolidine, 3-(diphenylmethoxy)-1-isobutyl-, hydrochloride is 345.18594 g/mol.
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