TL;DR: Propylamine, N-isopropyl-3-(o-methoxyphenyl)-, hydrochloride (CAS 100522-38-1) is a chemical compound with molecular formula C13H22ClNO and molecular weight 243.13899 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-(2-methoxyphenyl)-N-propan-2-ylpropan-1-amine;hydrochloride
Also Known As: N-Isopropyl-3-(o-methoxyphenyl)propylamine hydrochloride, Propylamine, N-isopropyl-3-(o-methoxyphenyl)-, hydrochloride, 3-(2-methoxyphenyl)-N-propan-2-ylpropan-1-amine hydrochloride, 3-(2-Methoxyphenyl)-N-(propan-2-yl)propan-1-amine--hydrogen chloride (1/1)
| Molecular Formula | C13H22ClNO |
| Molecular Weight | 243.13899 g/mol |
| XLogP | 3.0476 |
| Topological Polar Surface Area (TPSA) | 21.3 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 6 |
| Exact Mass | 243.13899 Da |
| Heavy Atoms | 16 |
| Complexity | 159.0 |
| SMILES | CC(C)NCCCC1=CC=CC=C1OC.Cl |
| InChIKey | NSHSRTPHUGHHHH-UHFFFAOYSA-N |
The XLogP value of 3.0476 indicates that Propylamine, N-isopropyl-3-(o-methoxyphenyl)-, hydrochloride is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 21.3 Ų, Propylamine, N-isopropyl-3-(o-methoxyphenyl)-, hydrochloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Propylamine, N-isopropyl-3-(o-methoxyphenyl)-, hydrochloride has 2 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of Propylamine, N-isopropyl-3-(o-methoxyphenyl)-, hydrochloride is 100522-38-1.
The molecular formula of Propylamine, N-isopropyl-3-(o-methoxyphenyl)-, hydrochloride is C13H22ClNO.
The molecular weight of Propylamine, N-isopropyl-3-(o-methoxyphenyl)-, hydrochloride is 243.13899 g/mol.
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