TL;DR: N-[[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]ethanamine Hydrochloride (CAS 1049717-66-9) is a chemical compound with molecular formula C12H16ClN3O and molecular weight 253.09819 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
N-[[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]ethanamine;hydrochloride
Also Known As: N-[[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]ethanamine Hydrochloride, N-{[3-(3-METHYLPHENYL)-1,2,4-OXADIAZOL-5-YL]METHYL}ETHANAMINE HYDROCHLORIDE, N-[[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]ethanamine;hydrochloride, N-((3-(m-Tolyl)-1,2,4-oxadiazol-5-yl)methyl)ethanamine hydrochloride, ETHYL({[3-(3-METHYLPHENYL)-1,2,4-OXADIAZOL-5-YL]METHYL})AMINE HYDROCHLORIDE
| Molecular Formula | C12H16ClN3O |
| Molecular Weight | 253.09819 g/mol |
| XLogP | 2.57632 |
| Topological Polar Surface Area (TPSA) | 51.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 253.09819 Da |
| Heavy Atoms | 17 |
| Complexity | 212.0 |
| SMILES | CCNCC1=NC(=NO1)C2=CC=CC(=C2)C.Cl |
| InChIKey | ZCGPKKVXBPJECQ-UHFFFAOYSA-N |
The XLogP value of 2.57632 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-[[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]ethanamine Hydrochloride. With a topological polar surface area (TPSA) of 51.0 Ų, N-[[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]ethanamine Hydrochloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-[[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]ethanamine Hydrochloride has 2 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 N-[[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]ethanamine Hydrochloride is 1049717-66-9.
The molecular formula of N-[[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]ethanamine Hydrochloride is C12H16ClN3O.
The molecular weight of N-[[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]ethanamine Hydrochloride is 253.09819 g/mol.
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