TL;DR: (E)-N-[2-(2,2-dimethyl-4-propan-2-yloxan-4-yl)ethyl]-3-phenylprop-2-en-1-amine (CAS 1444004-60-7) is a chemical compound with molecular formula C21H33NO and molecular weight 315.25623 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(E)-N-[2-(2,2-dimethyl-4-propan-2-yloxan-4-yl)ethyl]-3-phenylprop-2-en-1-amine
Also Known As: (E)-N-[2-(2,2-dimethyl-4-propan-2-yloxan-4-yl)ethyl]-3-phenylprop-2-en-1-amine, N-[2-(2,2-dimethyl-4-propan-2-yl-oxan-4-yl)ethyl]-3-phenyl-prop-2-en-1-amine, (2E)-N-{2-[2,2-dimethyl-4-(propan-2-yl)tetrahydro-2H-pyran-4-yl]ethyl}-3-phenylprop-2-en-1-amine, (E)-N-(2-(4-isopropyl-2,2-dimethyltetrahydro-2H-pyran-4-yl)ethyl)-3-phenylprop-2-en-1-amine
| Molecular Formula | C21H33NO |
| Molecular Weight | 315.25623 g/mol |
| XLogP | 4.7 |
| Topological Polar Surface Area (TPSA) | 21.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 7 |
| Exact Mass | 315.25623 Da |
| Heavy Atoms | 23 |
| Complexity | 368.0 |
| SMILES | CC(C)C1(CCOC(C1)(C)C)CCNC/C=C/C2=CC=CC=C2 |
| InChIKey | RZZSOZXENAQHQI-DHZHZOJOSA-N |
The XLogP value of 4.7 indicates that (E)-N-[2-(2,2-dimethyl-4-propan-2-yloxan-4-yl)ethyl]-3-phenylprop-2-en-1-amine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 21.3 Ų, (E)-N-[2-(2,2-dimethyl-4-propan-2-yloxan-4-yl)ethyl]-3-phenylprop-2-en-1-amine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (E)-N-[2-(2,2-dimethyl-4-propan-2-yloxan-4-yl)ethyl]-3-phenylprop-2-en-1-amine 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 (E)-N-[2-(2,2-dimethyl-4-propan-2-yloxan-4-yl)ethyl]-3-phenylprop-2-en-1-amine is 1444004-60-7.
The molecular formula of (E)-N-[2-(2,2-dimethyl-4-propan-2-yloxan-4-yl)ethyl]-3-phenylprop-2-en-1-amine is C21H33NO.
The molecular weight of (E)-N-[2-(2,2-dimethyl-4-propan-2-yloxan-4-yl)ethyl]-3-phenylprop-2-en-1-amine is 315.25623 g/mol.
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