TL;DR: (2,4-Dimethoxy-benzyl)-(4-fluoro-benzyl)-amine (CAS 1051369-28-8) is a chemical compound with molecular formula C16H18FNO2 and molecular weight 275.13217 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
N-[(2,4-dimethoxyphenyl)methyl]-1-(4-fluorophenyl)methanamine
Also Known As: (2,4-Dimethoxy-benzyl)-(4-fluoro-benzyl)-amine, - -AMINE, ZERENEX E/6027489, BAS 00716022, N-(2,4-Dimethoxybenzyl)-1-(4-fluorophenyl)methanamine
Top 5 of 3 IPC patent classification(s) from the SureChEMBL global patent database.
| Molecular Formula | C16H18FNO2 |
| Molecular Weight | 275.13217 g/mol |
| XLogP | 2.8 |
| Topological Polar Surface Area (TPSA) | 30.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 275.13217 Da |
| Heavy Atoms | 20 |
| Complexity | 269.0 |
| SMILES | COC1=CC(=C(C=C1)CNCC2=CC=C(C=C2)F)OC |
| InChIKey | HFZRYLWOZNPVRW-UHFFFAOYSA-N |
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (2,4-Dimethoxy-benzyl)-(4-fluoro-benzyl)-amine. With a topological polar surface area (TPSA) of 30.5 Ų, (2,4-Dimethoxy-benzyl)-(4-fluoro-benzyl)-amine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (2,4-Dimethoxy-benzyl)-(4-fluoro-benzyl)-amine has 1 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 (2,4-Dimethoxy-benzyl)-(4-fluoro-benzyl)-amine is 1051369-28-8.
The molecular formula of (2,4-Dimethoxy-benzyl)-(4-fluoro-benzyl)-amine is C16H18FNO2.
The molecular weight of (2,4-Dimethoxy-benzyl)-(4-fluoro-benzyl)-amine is 275.13217 g/mol.
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