TL;DR: 2-(Diethylamino)ethyl 3-hydroxy-2-phenylpropanoate--hydrogen chloride (1/1) (CAS 63815-31-6) is a chemical compound with molecular formula C15H24ClNO3 and molecular weight 301.14447 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-(diethylamino)ethyl 3-hydroxy-2-phenylpropanoate;hydrochloride
Also Known As: d,l-Tropic acid 2-(diethylamino)ethyl ester hydrochloride, 2-(diethylamino)ethyl 3-hydroxy-2-phenylpropanoate hydrochloride(1:1), Benzeneacetic acid, alpha-(hydroxymethyl)-, 2-(diethylamino)ethyl ester, hydrochloride, (+-)-, 2-(Diethylamino)ethyl 3-hydroxy-2-phenylpropanoate--hydrogen chloride (1/1), 2-diethylaminoethyl 3-hydroxy-2-phenylpropanoate hydrochloride
| Molecular Formula | C15H24ClNO3 |
| Molecular Weight | 301.14447 g/mol |
| XLogP | 2.07 |
| Topological Polar Surface Area (TPSA) | 49.8 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 9 |
| Exact Mass | 301.14447 Da |
| Heavy Atoms | 20 |
| Complexity | 248.0 |
| SMILES | CCN(CC)CCOC(=O)C(CO)C1=CC=CC=C1.Cl |
| InChIKey | FONGDXQKJYSUQP-UHFFFAOYSA-N |
The XLogP value of 2.07 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(Diethylamino)ethyl 3-hydroxy-2-phenylpropanoate--hydrogen chloride (1/1). With a topological polar surface area (TPSA) of 49.8 Ų, 2-(Diethylamino)ethyl 3-hydroxy-2-phenylpropanoate--hydrogen chloride (1/1) exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(Diethylamino)ethyl 3-hydroxy-2-phenylpropanoate--hydrogen chloride (1/1) has 2 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of 2-(Diethylamino)ethyl 3-hydroxy-2-phenylpropanoate--hydrogen chloride (1/1) is 63815-31-6.
The molecular formula of 2-(Diethylamino)ethyl 3-hydroxy-2-phenylpropanoate--hydrogen chloride (1/1) is C15H24ClNO3.
The molecular weight of 2-(Diethylamino)ethyl 3-hydroxy-2-phenylpropanoate--hydrogen chloride (1/1) is 301.14447 g/mol.
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