TL;DR: 1,3-Propanediol, 2-methyl-2-((1-naphthalenylmethyl)amino)-, hydrochloride (CAS 133550-78-4) is a chemical compound with molecular formula C15H20ClNO2 and molecular weight 281.11826 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-methyl-2-(naphthalen-1-ylmethylamino)propane-1,3-diol;hydrochloride
Also Known As: 1,3-Propanediol, 2-methyl-2-((1-naphthalenylmethyl)amino)-, hydrochloride, 2-Methyl-2-((1-naphthalenylmethyl)amino)-1,3-propanediol hydrochloride, 2-methyl-2-(naphthalen-1-ylmethylamino)propane-1,3-diol hydrochloride, 2-Methyl-2-{[(naphthalen-1-yl)methyl]amino}propane-1,3-diol--hydrogen chloride (1/1)
| Molecular Formula | C15H20ClNO2 |
| Molecular Weight | 281.11826 g/mol |
| XLogP | 2.0945 |
| Topological Polar Surface Area (TPSA) | 52.5 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 281.11826 Da |
| Heavy Atoms | 19 |
| Complexity | 253.0 |
| SMILES | CC(CO)(CO)NCC1=CC=CC2=CC=CC=C21.Cl |
| InChIKey | ZFIFWHSWNZUYDY-UHFFFAOYSA-N |
The XLogP value of 2.0945 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,3-Propanediol, 2-methyl-2-((1-naphthalenylmethyl)amino)-, hydrochloride. With a topological polar surface area (TPSA) of 52.5 Ų, 1,3-Propanediol, 2-methyl-2-((1-naphthalenylmethyl)amino)-, hydrochloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,3-Propanediol, 2-methyl-2-((1-naphthalenylmethyl)amino)-, hydrochloride has 4 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 1,3-Propanediol, 2-methyl-2-((1-naphthalenylmethyl)amino)-, hydrochloride is 133550-78-4.
The molecular formula of 1,3-Propanediol, 2-methyl-2-((1-naphthalenylmethyl)amino)-, hydrochloride is C15H20ClNO2.
The molecular weight of 1,3-Propanediol, 2-methyl-2-((1-naphthalenylmethyl)amino)-, hydrochloride is 281.11826 g/mol.
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