TL;DR: Acetic acid, 2-phenyl-2-(o-xylylamino)- (CAS 63906-48-9) is a chemical compound with molecular formula C16H17NO2 and molecular weight 255.12593 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-[(2-methylphenyl)methylamino]-2-phenylacetic acid
Also Known As: 2-Phenyl-2-(o-xylylamino)acetic acid, ACETIC ACID, 2-PHENYL-2-(o-XYLYLAMINO)-, 2-Phenyl-2-(2-methylbenzylamino)acetic acid, 2-[(2-methylphenyl)methylamino]-2-phenylacetic acid, 2-{[(2-methylphenyl)methyl]amino}-2-phenylacetic acid
| Molecular Formula | C16H17NO2 |
| Molecular Weight | 255.12593 g/mol |
| XLogP | 0.7 |
| Topological Polar Surface Area (TPSA) | 49.3 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 255.12593 Da |
| Heavy Atoms | 19 |
| Complexity | 286.0 |
| SMILES | CC1=CC=CC=C1CNC(C2=CC=CC=C2)C(=O)O |
| InChIKey | TZWJIEYUCJKWND-UHFFFAOYSA-N |
The XLogP value of 0.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Acetic acid, 2-phenyl-2-(o-xylylamino)-. With a topological polar surface area (TPSA) of 49.3 Ų, Acetic acid, 2-phenyl-2-(o-xylylamino)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Acetic acid, 2-phenyl-2-(o-xylylamino)- 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 Acetic acid, 2-phenyl-2-(o-xylylamino)- is 63906-48-9.
The molecular formula of Acetic acid, 2-phenyl-2-(o-xylylamino)- is C16H17NO2.
The molecular weight of Acetic acid, 2-phenyl-2-(o-xylylamino)- is 255.12593 g/mol.
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