TL;DR: 1-(1,3-benzodioxol-5-yl)-N-[(2-chloro-6-fluorophenyl)methyl]methanamine hydrochloride (CAS 1049678-92-3) is a chemical compound with molecular formula C15H14Cl2FNO2 and molecular weight 329.03857 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-chloro-6-fluorophenyl)methyl]methanamine;hydrochloride
Also Known As: 1-(1,3-benzodioxol-5-yl)-N-[(2-chloro-6-fluorophenyl)methyl]methanamine hydrochloride, 1-(benzo[d][1,3]dioxol-5-yl)-N-(2-chloro-6-fluorobenzyl)methanamine hydrochloride, 1-benzo[1,3]dioxol-5-yl-N-[(2-chloro-6-fluoro-phenyl)methyl]methanamine Hydrochloride
| Molecular Formula | C15H14Cl2FNO2 |
| Molecular Weight | 329.03857 g/mol |
| XLogP | 3.9194 |
| Topological Polar Surface Area (TPSA) | 30.5 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 329.03857 Da |
| Heavy Atoms | 21 |
| Complexity | 320.0 |
| SMILES | C1OC2=C(O1)C=C(C=C2)CNCC3=C(C=CC=C3Cl)F.Cl |
| InChIKey | CKFNAROEUZPBKX-UHFFFAOYSA-N |
The XLogP value of 3.9194 indicates that 1-(1,3-benzodioxol-5-yl)-N-[(2-chloro-6-fluorophenyl)methyl]methanamine hydrochloride is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 30.5 Ų, 1-(1,3-benzodioxol-5-yl)-N-[(2-chloro-6-fluorophenyl)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-chloro-6-fluorophenyl)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-chloro-6-fluorophenyl)methyl]methanamine hydrochloride is 1049678-92-3.
The molecular formula of 1-(1,3-benzodioxol-5-yl)-N-[(2-chloro-6-fluorophenyl)methyl]methanamine hydrochloride is C15H14Cl2FNO2.
The molecular weight of 1-(1,3-benzodioxol-5-yl)-N-[(2-chloro-6-fluorophenyl)methyl]methanamine hydrochloride is 329.03857 g/mol.
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