TL;DR: 2-{[3-(Allyloxy)benzyl]amino}-2-methyl-1-propanol (CAS 746610-11-7) is a chemical compound with molecular formula C14H21NO2 and molecular weight 235.15723 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-methyl-2-[(3-prop-2-enoxyphenyl)methylamino]propan-1-ol
Also Known As: 2-{[3-(Allyloxy)benzyl]amino}, 2-{[3-(allyloxy)benzyl]amino}-2-methyl-1-propanol, AP-970/42167270, 2-{[3-(allyloxy)benzyl]amino}-2-methylpropan-1-ol, 2-methyl-2-[(3-prop-2-enoxyphenyl)methylamino]propan-1-ol
| Molecular Formula | C14H21NO2 |
| Molecular Weight | 235.15723 g/mol |
| XLogP | 1.8 |
| Topological Polar Surface Area (TPSA) | 41.5 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 7 |
| Exact Mass | 235.15723 Da |
| Heavy Atoms | 17 |
| Complexity | 228.0 |
| SMILES | CC(C)(CO)NCC1=CC(=CC=C1)OCC=C |
| InChIKey | DFLYTWLECLIDBO-UHFFFAOYSA-N |
The XLogP value of 1.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-{[3-(Allyloxy)benzyl]amino}-2-methyl-1-propanol. With a topological polar surface area (TPSA) of 41.5 Ų, 2-{[3-(Allyloxy)benzyl]amino}-2-methyl-1-propanol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-{[3-(Allyloxy)benzyl]amino}-2-methyl-1-propanol has 2 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 2-{[3-(Allyloxy)benzyl]amino}-2-methyl-1-propanol is 746610-11-7.
The molecular formula of 2-{[3-(Allyloxy)benzyl]amino}-2-methyl-1-propanol is C14H21NO2.
The molecular weight of 2-{[3-(Allyloxy)benzyl]amino}-2-methyl-1-propanol is 235.15723 g/mol.
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