TL;DR: 1-(1,3-benzodioxol-5-yl)-N-[(5-methylthiophen-2-yl)methyl]methanamine hydrochloride (CAS 1049678-97-8) is a chemical compound with molecular formula C14H16ClNO2S and molecular weight 297.05902 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-(1,3-benzodioxol-5-yl)-N-[(5-methylthiophen-2-yl)methyl]methanamine;hydrochloride
Also Known As: 1-(1,3-benzodioxol-5-yl)-N-[(5-methylthiophen-2-yl)methyl]methanamine hydrochloride, 1-(benzo[d][1,3]dioxol-5-yl)-N-((5-methylthiophen-2-yl)methyl)methanamine hydrochloride, 1-benzo[1,3]dioxol-5-yl-N-[(5-methylthiophen-2-yl)methyl]methanamine Hydrochloride
| Molecular Formula | C14H16ClNO2S |
| Molecular Weight | 297.05902 g/mol |
| XLogP | 3.49682 |
| Topological Polar Surface Area (TPSA) | 58.7 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 297.05902 Da |
| Heavy Atoms | 19 |
| Complexity | 277.0 |
| SMILES | CC1=CC=C(S1)CNCC2=CC3=C(C=C2)OCO3.Cl |
| InChIKey | GVDLPBMANPAEKM-UHFFFAOYSA-N |
The XLogP value of 3.49682 indicates that 1-(1,3-benzodioxol-5-yl)-N-[(5-methylthiophen-2-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 58.7 Ų, 1-(1,3-benzodioxol-5-yl)-N-[(5-methylthiophen-2-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-[(5-methylthiophen-2-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-[(5-methylthiophen-2-yl)methyl]methanamine hydrochloride is 1049678-97-8.
The molecular formula of 1-(1,3-benzodioxol-5-yl)-N-[(5-methylthiophen-2-yl)methyl]methanamine hydrochloride is C14H16ClNO2S.
The molecular weight of 1-(1,3-benzodioxol-5-yl)-N-[(5-methylthiophen-2-yl)methyl]methanamine hydrochloride is 297.05902 g/mol.
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