TL;DR: 3-{1-[2-(4-Aminophenyl)ethyl]-3-propylpyrrolidin-3-yl}phenol (CAS 63951-04-2) is a chemical compound with molecular formula C21H28N2O and molecular weight 324.22015 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-[1-[2-(4-aminophenyl)ethyl]-3-propylpyrrolidin-3-yl]phenol
Also Known As: 3-{1-[2-(4-aminophenyl)ethyl]-3-propylpyrrolidin-3-yl}phenol, 3-(1-(p-Aminophenethyl)-3-propyl-3-pyrrolidinyl)phenol, 5-21-02-00457 (Beilstein Handbook Reference), Phenol, m-(1-(p-aminophenethyl)-3-propyl-3-pyrrolidinyl)-, Pyrrolidine, 1-(p-aminophenethyl)-3-(m-hydroxyphenyl)-3-propyl-
| Molecular Formula | C21H28N2O |
| Molecular Weight | 324.22015 g/mol |
| XLogP | 4.5 |
| Topological Polar Surface Area (TPSA) | 49.5 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 6 |
| Exact Mass | 324.22015 Da |
| Heavy Atoms | 24 |
| Complexity | 380.0 |
| SMILES | CCCC1(CCN(C1)CCC2=CC=C(C=C2)N)C3=CC(=CC=C3)O |
| InChIKey | HPOUDGQCZNPFSH-UHFFFAOYSA-N |
The XLogP value of 4.5 indicates that 3-{1-[2-(4-Aminophenyl)ethyl]-3-propylpyrrolidin-3-yl}phenol is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 49.5 Ų, 3-{1-[2-(4-Aminophenyl)ethyl]-3-propylpyrrolidin-3-yl}phenol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-{1-[2-(4-Aminophenyl)ethyl]-3-propylpyrrolidin-3-yl}phenol has 2 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 3-{1-[2-(4-Aminophenyl)ethyl]-3-propylpyrrolidin-3-yl}phenol is 63951-04-2.
The molecular formula of 3-{1-[2-(4-Aminophenyl)ethyl]-3-propylpyrrolidin-3-yl}phenol is C21H28N2O.
The molecular weight of 3-{1-[2-(4-Aminophenyl)ethyl]-3-propylpyrrolidin-3-yl}phenol is 324.22015 g/mol.
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