TL;DR: Phenethylamine, N-benzyl-beta-(dimethylamino)-alpha-ethyl- (CAS 102586-21-0) is a chemical compound with molecular formula C19H26N2 and molecular weight 282.2096 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-N-benzyl-1-N,1-N-dimethyl-1-phenylbutane-1,2-diamine
Also Known As: FC 429, Phenethylamine, N-benzyl-beta-(dimethylamino)-alpha-ethyl-, N-Benzyl-beta-(dimethylamino)-alpha-ethylphenethylamine, N-(2-(N,N-Dimethyl-N-butylamino))-N-phenylbenzylamine, 2-N-benzyl-1-N,1-N-dimethyl-1-phenylbutane-1,2-diamine
| Molecular Formula | C19H26N2 |
| Molecular Weight | 282.2096 g/mol |
| XLogP | 3.8 |
| Topological Polar Surface Area (TPSA) | 15.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 7 |
| Exact Mass | 282.2096 Da |
| Heavy Atoms | 21 |
| Complexity | 265.0 |
| SMILES | CCC(C(C1=CC=CC=C1)N(C)C)NCC2=CC=CC=C2 |
| InChIKey | SVLHBGQWBVOVKE-UHFFFAOYSA-N |
The XLogP value of 3.8 indicates that Phenethylamine, N-benzyl-beta-(dimethylamino)-alpha-ethyl- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 15.3 Ų, Phenethylamine, N-benzyl-beta-(dimethylamino)-alpha-ethyl- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Phenethylamine, N-benzyl-beta-(dimethylamino)-alpha-ethyl- 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 Phenethylamine, N-benzyl-beta-(dimethylamino)-alpha-ethyl- is 102586-21-0.
The molecular formula of Phenethylamine, N-benzyl-beta-(dimethylamino)-alpha-ethyl- is C19H26N2.
The molecular weight of Phenethylamine, N-benzyl-beta-(dimethylamino)-alpha-ethyl- is 282.2096 g/mol.
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