TL;DR: (3,4-Dimethoxybenzyl)(2-methoxy-1-methylethyl)amine (CAS 137071-61-5) is a chemical compound with molecular formula C13H21NO3 and molecular weight 239.15215 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
N-[(3,4-dimethoxyphenyl)methyl]-1-methoxypropan-2-amine
Also Known As: 4-Allylphenoxypropanolamine, N-(3,4-dimethoxybenzyl)-1-methoxypropan-2-amine, (3,4-Dimethoxy-benzyl)-(2-methoxy-1-methyl-ethyl)-amine, (3,4-dimethoxybenzyl)(2-methoxy-1-methylethyl)amine, CHEMBRDG-BB 5544614
| Molecular Formula | C13H21NO3 |
| Molecular Weight | 239.15215 g/mol |
| XLogP | 1.1 |
| Topological Polar Surface Area (TPSA) | 39.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 7 |
| Exact Mass | 239.15215 Da |
| Heavy Atoms | 17 |
| Complexity | 201.0 |
| SMILES | CC(COC)NCC1=CC(=C(C=C1)OC)OC |
| InChIKey | QNMAKJPRKQTXCB-UHFFFAOYSA-N |
The XLogP value of 1.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (3,4-Dimethoxybenzyl)(2-methoxy-1-methylethyl)amine. With a topological polar surface area (TPSA) of 39.7 Ų, (3,4-Dimethoxybenzyl)(2-methoxy-1-methylethyl)amine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (3,4-Dimethoxybenzyl)(2-methoxy-1-methylethyl)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 (3,4-Dimethoxybenzyl)(2-methoxy-1-methylethyl)amine is 137071-61-5.
The molecular formula of (3,4-Dimethoxybenzyl)(2-methoxy-1-methylethyl)amine is C13H21NO3.
The molecular weight of (3,4-Dimethoxybenzyl)(2-methoxy-1-methylethyl)amine is 239.15215 g/mol.
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