TL;DR: Methyl 2-[4-(aminomethyl)phenyl]benzoate (CAS 133052-21-8) is a chemical compound with molecular formula C15H15NO2 and molecular weight 241.11028 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
methyl 2-[4-(aminomethyl)phenyl]benzoate
Also Known As: Methyl 2-[4-(aminomethyl)phenyl]benzoate, 4-(2-Carbomethoxyphenyl)benzylamine, Methyl 4'-(aminomethyl)biphenyl-2-carboxylate, methyl 4'-(aminomethyl)-1,1'-biphenyl-2-carboxylate, 4/'-(AMINOMETHYL)-BIPHENYL-2-CARBOXYLIC ACID METHYL ESTER
| Molecular Formula | C15H15NO2 |
| Molecular Weight | 241.11028 g/mol |
| XLogP | 2.9 |
| Topological Polar Surface Area (TPSA) | 52.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 241.11028 Da |
| Heavy Atoms | 18 |
| Complexity | 272.0 |
| SMILES | COC(=O)C1=CC=CC=C1C2=CC=C(C=C2)CN |
| InChIKey | LTSYIBPODUDLIX-UHFFFAOYSA-N |
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 2-[4-(aminomethyl)phenyl]benzoate. With a topological polar surface area (TPSA) of 52.3 Ų, Methyl 2-[4-(aminomethyl)phenyl]benzoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Methyl 2-[4-(aminomethyl)phenyl]benzoate 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 Methyl 2-[4-(aminomethyl)phenyl]benzoate is 133052-21-8.
The molecular formula of Methyl 2-[4-(aminomethyl)phenyl]benzoate is C15H15NO2.
The molecular weight of Methyl 2-[4-(aminomethyl)phenyl]benzoate is 241.11028 g/mol.
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