TL;DR: Cyclopropanecarboxylic acid, 2-((dimethylamino)methyl)-1-phenyl-, ethyl ester, hydrochloride, trans- (CAS 105310-33-6) is a chemical compound with molecular formula C15H22ClNO2 and molecular weight 283.1339 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
trans-ethyl (1R,2R)-2-[(dimethylamino)methyl]-1-phenylcyclopropane-1-carboxylate;hydrochloride
Also Known As: Cyclopropanecarboxylic acid, 2-((dimethylamino)methyl)-1-phenyl-, ethyl ester, hydrochloride, trans-, trans-2-((Dimethylamino)methyl)-1-phenylcyclopropanecarboxylic acid ethyl ester HCl, Ethyl (E)-1-phenyl-2-((dimethylamino)methyl)cyclopropanecarboxylate hydrochloride, ethyl (1R,2R)-2-(dimethylaminomethyl)-1-phenylcyclopropane-1-carboxylate hydrochloride, Ethyl (1R,2R)-2-[(dimethylamino)methyl]-1-phenylcyclopropane-1-carboxylate--hydrogen chloride (1/1)
| Molecular Formula | C15H22ClNO2 |
| Molecular Weight | 283.1339 g/mol |
| XLogP | 2.4908 |
| Topological Polar Surface Area (TPSA) | 29.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 6 |
| Exact Mass | 283.1339 Da |
| Heavy Atoms | 19 |
| Complexity | 297.0 |
| SMILES | CCOC(=O)[C@@]1(C[C@H]1CN(C)C)C2=CC=CC=C2.Cl |
| InChIKey | QGOODCRKVILNBY-SLHAJLBXSA-N |
The XLogP value of 2.4908 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Cyclopropanecarboxylic acid, 2-((dimethylamino)methyl)-1-phenyl-, ethyl ester, hydrochloride, trans-. With a topological polar surface area (TPSA) of 29.5 Ų, Cyclopropanecarboxylic acid, 2-((dimethylamino)methyl)-1-phenyl-, ethyl ester, hydrochloride, trans- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Cyclopropanecarboxylic acid, 2-((dimethylamino)methyl)-1-phenyl-, ethyl ester, hydrochloride, trans- has 1 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of Cyclopropanecarboxylic acid, 2-((dimethylamino)methyl)-1-phenyl-, ethyl ester, hydrochloride, trans- is 105310-33-6.
The molecular formula of Cyclopropanecarboxylic acid, 2-((dimethylamino)methyl)-1-phenyl-, ethyl ester, hydrochloride, trans- is C15H22ClNO2.
The molecular weight of Cyclopropanecarboxylic acid, 2-((dimethylamino)methyl)-1-phenyl-, ethyl ester, hydrochloride, trans- is 283.1339 g/mol.
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