TL;DR: 2-Propen-1-amine, N-(2-methylpropyl)-3-phenyl-, (2E)- (CAS 144608-94-6) is a chemical compound with molecular formula C13H19N and molecular weight 189.15175 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-methyl-N-(3-phenylprop-2-enyl)propan-1-amine
Also Known As: 2-Propen-1-amine, N-(2-methylpropyl)-3-phenyl-, (2E)-, 2-methyl-N-(3-phenylprop-2-enyl)propan-1-amine, N-isobutyl-3-phenyl-2-propen-1-amine, N-Isobutyl-3-phenylprop-2-en-1-amine, (2-methylpropyl)[(2E)-3-phenylprop-2-en-1-yl]amine
| Molecular Formula | C13H19N |
| Molecular Weight | 189.15175 g/mol |
| XLogP | 3.3 |
| Topological Polar Surface Area (TPSA) | 12.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 5 |
| Exact Mass | 189.15175 Da |
| Heavy Atoms | 14 |
| Complexity | 155.0 |
| SMILES | CC(C)CNCC=CC1=CC=CC=C1 |
| InChIKey | PMBUEBBTUPUBQW-UHFFFAOYSA-N |
The XLogP value of 3.3 indicates that 2-Propen-1-amine, N-(2-methylpropyl)-3-phenyl-, (2E)- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 12.0 Ų, 2-Propen-1-amine, N-(2-methylpropyl)-3-phenyl-, (2E)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Propen-1-amine, N-(2-methylpropyl)-3-phenyl-, (2E)- has 1 hydrogen bond donor(s) and 1 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of 2-Propen-1-amine, N-(2-methylpropyl)-3-phenyl-, (2E)- is 144608-94-6.
The molecular formula of 2-Propen-1-amine, N-(2-methylpropyl)-3-phenyl-, (2E)- is C13H19N.
The molecular weight of 2-Propen-1-amine, N-(2-methylpropyl)-3-phenyl-, (2E)- is 189.15175 g/mol.
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