TL;DR: Benzyl alcohol, p-amino-alpha-((3-quinuclidinylamino)methyl)- (CAS 100427-74-5) is a chemical compound with molecular formula C15H23N3O and molecular weight 261.1841 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-amino-1-(4-aminophenyl)-2-(2-bicyclo[2.2.1]heptanylamino)ethanol
Also Known As: 3-(beta-Hydroxy-beta-(4-aminophenyl)ethylamino)quinuclidine, BENZYL ALCOHOL, p-AMINO-alpha-((3-QUINUCLIDINYLAMINO)METHYL)-, 2-amino-1-(4-aminophenyl)-2-(3-bicyclo[2.2.1]heptanylamino)ethanol, Benzenemethanol,4-amino-a-[(1-azabicyclo[2.2.2]oct-3-ylamino)methyl]-, 2-amino-1-(4-aminophenyl)-2-(2-bicyclo[2.2.1]heptanylamino)ethanol
| Molecular Formula | C15H23N3O |
| Molecular Weight | 261.1841 g/mol |
| XLogP | 0.9 |
| Topological Polar Surface Area (TPSA) | 84.3 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 261.1841 Da |
| Heavy Atoms | 19 |
| Complexity | 304.0 |
| SMILES | C1CC2CC1CC2NC(C(C3=CC=C(C=C3)N)O)N |
| InChIKey | ODBUBRKBHJIZHO-UHFFFAOYSA-N |
The XLogP value of 0.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Benzyl alcohol, p-amino-alpha-((3-quinuclidinylamino)methyl)-. The TPSA of 84.3 Ų falls within the moderate polarity range, balancing permeability and solubility for Benzyl alcohol, p-amino-alpha-((3-quinuclidinylamino)methyl)-. Following Lipinski's Rule of Five, Benzyl alcohol, p-amino-alpha-((3-quinuclidinylamino)methyl)- has 4 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of Benzyl alcohol, p-amino-alpha-((3-quinuclidinylamino)methyl)- is 100427-74-5.
The molecular formula of Benzyl alcohol, p-amino-alpha-((3-quinuclidinylamino)methyl)- is C15H23N3O.
The molecular weight of Benzyl alcohol, p-amino-alpha-((3-quinuclidinylamino)methyl)- is 261.1841 g/mol.
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