TL;DR: Cyclopropanamine, 2-phenyl-N-2-propynyl-, hydrochloride, trans- (CAS 15471-90-6) is a chemical compound with molecular formula C12H14ClN and molecular weight 207.08148 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
trans-(1R,2S)-2-phenyl-N-prop-2-ynylcyclopropan-1-amine;hydrochloride
Also Known As: trans-N-(2-Phenylcyclopropyl)-2-propynylamine hydrochloride, 2-Propynylamine, N-(2-phenylcylopropyl)-, hydrochloride, trans-, (1R,2S)-2-phenyl-N-prop-2-ynylcyclopropan-1-amine hydrochloride, Cyclopropanamine, 2-phenyl-N-2-propynyl-, hydrochloride, trans-, 2-Phenyl-N-(prop-2-yn-1-yl)cyclopropan-1-amine--hydrogen chloride (1/1)
| Molecular Formula | C12H14ClN |
| Molecular Weight | 207.08148 g/mol |
| XLogP | 2.1871 |
| Topological Polar Surface Area (TPSA) | 12.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 3 |
| Exact Mass | 207.08148 Da |
| Heavy Atoms | 14 |
| Complexity | 206.0 |
| SMILES | C#CCN[C@@H]1C[C@H]1C2=CC=CC=C2.Cl |
| InChIKey | FGEFMGIXPMEOMV-ZVWHLABXSA-N |
The XLogP value of 2.1871 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Cyclopropanamine, 2-phenyl-N-2-propynyl-, hydrochloride, trans-. With a topological polar surface area (TPSA) of 12.0 Ų, Cyclopropanamine, 2-phenyl-N-2-propynyl-, hydrochloride, trans- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Cyclopropanamine, 2-phenyl-N-2-propynyl-, hydrochloride, trans- has 2 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 Cyclopropanamine, 2-phenyl-N-2-propynyl-, hydrochloride, trans- is 15471-90-6.
The molecular formula of Cyclopropanamine, 2-phenyl-N-2-propynyl-, hydrochloride, trans- is C12H14ClN.
The molecular weight of Cyclopropanamine, 2-phenyl-N-2-propynyl-, hydrochloride, trans- is 207.08148 g/mol.
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