TL;DR: Benzylamine, alpha,alpha-dimethyl-N-(2-oxazolinyl)- (CAS 100427-89-2) is a chemical compound with molecular formula C12H16N2O and molecular weight 204.12627 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
N-(2-phenylpropan-2-yl)-4,5-dihydro-1,3-oxazol-2-amine
Also Known As: 2-(alpha,alpha-Dimethylbenzylamino)-2-oxazoline, BENZYLAMINE, alpha,alpha-DIMETHYL-N-(2-OXAZOLINYL)-, NCI60_022173, N-(2-phenylpropan-2-yl)-4,5-dihydro-1,3-oxazol-2-amine, N-(1-methyl-1-phenyl-ethyl)-4,5-dihydrooxazol-2-amine
| Molecular Formula | C12H16N2O |
| Molecular Weight | 204.12627 g/mol |
| XLogP | 1.7 |
| Topological Polar Surface Area (TPSA) | 33.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 204.12627 Da |
| Heavy Atoms | 15 |
| Complexity | 242.0 |
| SMILES | CC(C)(C1=CC=CC=C1)NC2=NCCO2 |
| InChIKey | KEHKOXVLHWSTAX-UHFFFAOYSA-N |
The XLogP value of 1.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Benzylamine, alpha,alpha-dimethyl-N-(2-oxazolinyl)-. With a topological polar surface area (TPSA) of 33.6 Ų, Benzylamine, alpha,alpha-dimethyl-N-(2-oxazolinyl)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzylamine, alpha,alpha-dimethyl-N-(2-oxazolinyl)- has 1 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of Benzylamine, alpha,alpha-dimethyl-N-(2-oxazolinyl)- is 100427-89-2.
The molecular formula of Benzylamine, alpha,alpha-dimethyl-N-(2-oxazolinyl)- is C12H16N2O.
The molecular weight of Benzylamine, alpha,alpha-dimethyl-N-(2-oxazolinyl)- is 204.12627 g/mol.
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