TL;DR: 1-(1,3-benzodioxol-5-yl)-N-[(2-methoxynaphthalen-1-yl)methyl]methanamine hydrochloride (CAS 1049711-82-1) is a chemical compound with molecular formula C20H20ClNO3 and molecular weight 357.11316 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-(1,3-benzodioxol-5-yl)-N-[(2-methoxynaphthalen-1-yl)methyl]methanamine;hydrochloride
Also Known As: 1-(1,3-benzodioxol-5-yl)-N-[(2-methoxynaphthalen-1-yl)methyl]methanamine hydrochloride, 1-(benzo[d][1,3]dioxol-5-yl)-N-((2-methoxynaphthalen-1-yl)methyl)methanamine hydrochloride, N-(benzo[1,3]dioxol-5-ylmethyl)-1-(2-methoxynaphthalen-1-yl)methanamine Hydrochloride
| Molecular Formula | C20H20ClNO3 |
| Molecular Weight | 357.11316 g/mol |
| XLogP | 4.2887 |
| Topological Polar Surface Area (TPSA) | 39.7 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 357.11316 Da |
| Heavy Atoms | 25 |
| Complexity | 404.0 |
| SMILES | COC1=C(C2=CC=CC=C2C=C1)CNCC3=CC4=C(C=C3)OCO4.Cl |
| InChIKey | MABWDJUQFFCTIY-UHFFFAOYSA-N |
The XLogP value of 4.2887 indicates that 1-(1,3-benzodioxol-5-yl)-N-[(2-methoxynaphthalen-1-yl)methyl]methanamine hydrochloride is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 39.7 Ų, 1-(1,3-benzodioxol-5-yl)-N-[(2-methoxynaphthalen-1-yl)methyl]methanamine hydrochloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(1,3-benzodioxol-5-yl)-N-[(2-methoxynaphthalen-1-yl)methyl]methanamine 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 1-(1,3-benzodioxol-5-yl)-N-[(2-methoxynaphthalen-1-yl)methyl]methanamine hydrochloride is 1049711-82-1.
The molecular formula of 1-(1,3-benzodioxol-5-yl)-N-[(2-methoxynaphthalen-1-yl)methyl]methanamine hydrochloride is C20H20ClNO3.
The molecular weight of 1-(1,3-benzodioxol-5-yl)-N-[(2-methoxynaphthalen-1-yl)methyl]methanamine hydrochloride is 357.11316 g/mol.
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