TL;DR: 4'-Amino-1-methyl-4-phenyl-1,2,3,6-tetrahydropyridine (CAS 106362-30-5) is a chemical compound with molecular formula C12H16N2 and molecular weight 188.13135 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
4-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)aniline
Also Known As: 4'-Amino-mptp, 4-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)aniline, 4'-Amino-1-methyl-4-phenyl-1,2,3,6-tetrahydropyridine, 3-(1-methylpyridin-1-ium-4-yl)aniline, 4-(1-methyl-1,2,3,6-tetrahydropyridin-4-yl)aniline
| Molecular Formula | C12H16N2 |
| Molecular Weight | 188.13135 g/mol |
| XLogP | 1.5 |
| Topological Polar Surface Area (TPSA) | 29.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 188.13135 Da |
| Heavy Atoms | 14 |
| Complexity | 214.0 |
| SMILES | CN1CCC(=CC1)C2=CC=C(C=C2)N |
| InChIKey | JVEFUUSABCMFKJ-UHFFFAOYSA-N |
The XLogP value of 1.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4'-Amino-1-methyl-4-phenyl-1,2,3,6-tetrahydropyridine. With a topological polar surface area (TPSA) of 29.3 Ų, 4'-Amino-1-methyl-4-phenyl-1,2,3,6-tetrahydropyridine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4'-Amino-1-methyl-4-phenyl-1,2,3,6-tetrahydropyridine 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 4'-Amino-1-methyl-4-phenyl-1,2,3,6-tetrahydropyridine is 106362-30-5.
The molecular formula of 4'-Amino-1-methyl-4-phenyl-1,2,3,6-tetrahydropyridine is C12H16N2.
The molecular weight of 4'-Amino-1-methyl-4-phenyl-1,2,3,6-tetrahydropyridine is 188.13135 g/mol.
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