TL;DR: Phenethylamine, alpha-propyl- (CAS 63951-01-9) is a chemical compound with molecular formula C11H17N and molecular weight 163.1361 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-phenylpentan-2-amine
Also Known As: 1-phenylpentan-2-amine, 1-Phenyl-2-aminopentane, Broncho-binotal, 1-Benzyl-butylamine, 1-Phenyl-2-amino-pentan
Top 5 of 9 IPC patent classification(s) from the SureChEMBL global patent database.
| Molecular Formula | C11H17N |
| Molecular Weight | 163.1361 g/mol |
| XLogP | 2.8 |
| Topological Polar Surface Area (TPSA) | 26.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 4 |
| Exact Mass | 163.1361 Da |
| Heavy Atoms | 12 |
| Complexity | 106.0 |
| SMILES | CCCC(CC1=CC=CC=C1)N |
| InChIKey | VXGQDFOHLMAZIV-UHFFFAOYSA-N |
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Phenethylamine, alpha-propyl-. With a topological polar surface area (TPSA) of 26.0 Ų, Phenethylamine, alpha-propyl- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Phenethylamine, alpha-propyl- has 1 hydrogen bond donor(s) and 1 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of Phenethylamine, alpha-propyl- is 63951-01-9.
The molecular formula of Phenethylamine, alpha-propyl- is C11H17N.
The molecular weight of Phenethylamine, alpha-propyl- is 163.1361 g/mol.
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