TL;DR: Tert-butyl[(2,4-dimethoxyphenyl)methyl]amine (CAS 130539-87-6) is a chemical compound with molecular formula C13H21NO2 and molecular weight 223.15723 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
N-[(2,4-dimethoxyphenyl)methyl]-2-methylpropan-2-amine
Also Known As: tert-butyl[(2,4-dimethoxyphenyl)methyl]amine, N-(tert-butyl)-N-(2,4-dimethoxybenzyl)amine, N-[(2,4-dimethoxyphenyl)methyl]-2-methylpropan-2-amine, N-[(2,4-dimethoxyphenyl)methyl]-2-methyl-propan-2-amine, F1911-1706
| Molecular Formula | C13H21NO2 |
| Molecular Weight | 223.15723 g/mol |
| XLogP | 2.7 |
| Topological Polar Surface Area (TPSA) | 30.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 223.15723 Da |
| Heavy Atoms | 16 |
| Complexity | 201.0 |
| SMILES | CC(C)(C)NCC1=C(C=C(C=C1)OC)OC |
| InChIKey | AEJHZTIIZMGZPL-UHFFFAOYSA-N |
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Tert-butyl[(2,4-dimethoxyphenyl)methyl]amine. With a topological polar surface area (TPSA) of 30.5 Ų, Tert-butyl[(2,4-dimethoxyphenyl)methyl]amine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Tert-butyl[(2,4-dimethoxyphenyl)methyl]amine has 1 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of Tert-butyl[(2,4-dimethoxyphenyl)methyl]amine is 130539-87-6.
The molecular formula of Tert-butyl[(2,4-dimethoxyphenyl)methyl]amine is C13H21NO2.
The molecular weight of Tert-butyl[(2,4-dimethoxyphenyl)methyl]amine is 223.15723 g/mol.
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