TL;DR: Benzylamine, alpha-(p-chlorophenethyl)-N,N-diethyl- (CAS 100427-86-9) is a chemical compound with molecular formula C19H24ClN and molecular weight 301.15973 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-(4-chlorophenyl)-N,N-diethyl-1-phenylpropan-1-amine
Also Known As: 3-(4-chlorophenyl)-N,N-diethyl-1-phenylpropan-1-amine, alpha-(p-Chlorophenethyl)-N,N-diethylbenzylamine, BENZYLAMINE, alpha-(p-CHLOROPHENETHYL)-N,N-DIETHYL-, [3-(4-CHLOROPHENYL)-1-PHENYLPROPYL]DIETHYLAMINE, 4-Chloro-N,N-diethyl-alpha-phenylbenzenepropan-1-amine
| Molecular Formula | C19H24ClN |
| Molecular Weight | 301.15973 g/mol |
| XLogP | 5.5 |
| Topological Polar Surface Area (TPSA) | 3.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 7 |
| Exact Mass | 301.15973 Da |
| Heavy Atoms | 21 |
| Complexity | 263.0 |
| SMILES | CCN(CC)C(CCC1=CC=C(C=C1)Cl)C2=CC=CC=C2 |
| InChIKey | GYYJLOMNSBFGLF-UHFFFAOYSA-N |
The XLogP value of 5.5 indicates that Benzylamine, alpha-(p-chlorophenethyl)-N,N-diethyl- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 3.2 Ų, Benzylamine, alpha-(p-chlorophenethyl)-N,N-diethyl- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzylamine, alpha-(p-chlorophenethyl)-N,N-diethyl- has 0 hydrogen bond donor(s) and 1 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of Benzylamine, alpha-(p-chlorophenethyl)-N,N-diethyl- is 100427-86-9.
The molecular formula of Benzylamine, alpha-(p-chlorophenethyl)-N,N-diethyl- is C19H24ClN.
The molecular weight of Benzylamine, alpha-(p-chlorophenethyl)-N,N-diethyl- is 301.15973 g/mol.
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