TL;DR: N-benzyl-N-methyl-1-(1-phenylpyrrolidin-2-yl)methanamine;but-2-enedioic acid (CAS 142469-76-9) is a chemical compound with molecular formula C23H28N2O4 and molecular weight 396.2049 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
N-benzyl-N-methyl-1-(1-phenylpyrrolidin-2-yl)methanamine;but-2-enedioic acid
Also Known As: N-benzyl-N-methyl-1-(1-phenylpyrrolidin-2-yl)methanamine; but-2-enedioic acid, (-)-N-Methyl-1-phenyl-N-(phenylmethyl)-2-pyrrolidinemethanamine fumarate, 2-Pyrrolidinemethanamine, N-methyl-1-phenyl-N-(phenylmethyl)-, (-)-, (E)-2-butenedioate (1:1)
| Molecular Formula | C23H28N2O4 |
| Molecular Weight | 396.2049 g/mol |
| XLogP | 3.4992 |
| Topological Polar Surface Area (TPSA) | 81.1 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 396.2049 Da |
| Heavy Atoms | 29 |
| Complexity | 411.0 |
| SMILES | CN(CC1CCCN1C2=CC=CC=C2)CC3=CC=CC=C3.C(=CC(=O)O)C(=O)O |
| InChIKey | OFXWMXLNWUDFOG-UHFFFAOYSA-N |
The XLogP value of 3.4992 indicates that N-benzyl-N-methyl-1-(1-phenylpyrrolidin-2-yl)methanamine;but-2-enedioic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 81.1 Ų falls within the moderate polarity range, balancing permeability and solubility for N-benzyl-N-methyl-1-(1-phenylpyrrolidin-2-yl)methanamine;but-2-enedioic acid. Following Lipinski's Rule of Five, N-benzyl-N-methyl-1-(1-phenylpyrrolidin-2-yl)methanamine;but-2-enedioic acid has 2 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of N-benzyl-N-methyl-1-(1-phenylpyrrolidin-2-yl)methanamine;but-2-enedioic acid is 142469-76-9.
The molecular formula of N-benzyl-N-methyl-1-(1-phenylpyrrolidin-2-yl)methanamine;but-2-enedioic acid is C23H28N2O4.
The molecular weight of N-benzyl-N-methyl-1-(1-phenylpyrrolidin-2-yl)methanamine;but-2-enedioic acid is 396.2049 g/mol.
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