TL;DR: 2H-Tetrazole-2-ethanamine, N,N-diethyl-5-(4-methoxyphenyl)-, hydrochloride, hydrate (1:1:1) (CAS 158553-48-1) is a chemical compound with molecular formula C14H22ClN5O and molecular weight 311.15128 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
N,N-diethyl-2-[5-(4-methoxyphenyl)tetrazol-2-yl]ethanamine;hydrochloride
Also Known As: 2H-Tetrazole-2-ethanamine, N,N-diethyl-5-(4-methoxyphenyl)-, hydrochloride, hydrate (1:1:1), N,N-Diethyl-5-(4-methoxyphenyl)-2H-tetrazole-2-ethanamine hydrochloride hydrate (1:1:1), 2-(2-diethylaminoethyl)-5-(-4-methoxyphenyl)tetrazole hydrochloride, N,N-diethyl-2-[5-(4-methoxyphenyl)tetrazol-2-yl]ethanamine hydrochloride, N,N-Diethyl-2-[5-(4-methoxyphenyl)-2H-tetrazol-2-yl]ethan-1-amine--hydrogen chloride (1/1)
| Molecular Formula | C14H22ClN5O |
| Molecular Weight | 311.15128 g/mol |
| XLogP | 2.1123 |
| Topological Polar Surface Area (TPSA) | 56.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 311.15128 Da |
| Heavy Atoms | 21 |
| Complexity | 266.0 |
| SMILES | CCN(CC)CCN1N=C(N=N1)C2=CC=C(C=C2)OC.Cl |
| InChIKey | FPBWQHONJQVOOA-UHFFFAOYSA-N |
The XLogP value of 2.1123 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2H-Tetrazole-2-ethanamine, N,N-diethyl-5-(4-methoxyphenyl)-, hydrochloride, hydrate (1:1:1). With a topological polar surface area (TPSA) of 56.1 Ų, 2H-Tetrazole-2-ethanamine, N,N-diethyl-5-(4-methoxyphenyl)-, hydrochloride, hydrate (1:1:1) exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2H-Tetrazole-2-ethanamine, N,N-diethyl-5-(4-methoxyphenyl)-, hydrochloride, hydrate (1:1:1) has 1 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of 2H-Tetrazole-2-ethanamine, N,N-diethyl-5-(4-methoxyphenyl)-, hydrochloride, hydrate (1:1:1) is 158553-48-1.
The molecular formula of 2H-Tetrazole-2-ethanamine, N,N-diethyl-5-(4-methoxyphenyl)-, hydrochloride, hydrate (1:1:1) is C14H22ClN5O.
The molecular weight of 2H-Tetrazole-2-ethanamine, N,N-diethyl-5-(4-methoxyphenyl)-, hydrochloride, hydrate (1:1:1) is 311.15128 g/mol.
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