TL;DR: N-(4-chlorobenzyl)-2-(5-methoxy-1H-indol-3-yl)ethanamine (CAS 155639-11-5) is a chemical compound with molecular formula C18H19ClN2O and molecular weight 314.1186 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
N-[(4-chlorophenyl)methyl]-2-(5-methoxy-1H-indol-3-yl)ethanamine
Also Known As: ZERO/004802, N-(4-chlorobenzyl)-2-(5-methoxy-1H-indol-3-yl)ethanamine, N-(4-chlorobenzyl)-2-(5-methoxy-1H-indol-3-yl)ethan-1-amine, N-[(4-chlorophenyl)methyl]-2-(5-methoxy-1H-indol-3-yl)ethanamine, (4-chlorobenzyl)[2-(5-methoxy-1{H}-indol-3-yl)ethyl]amine
| Molecular Formula | C18H19ClN2O |
| Molecular Weight | 314.1186 g/mol |
| XLogP | 3.2 |
| Topological Polar Surface Area (TPSA) | 37.1 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 6 |
| Exact Mass | 314.1186 Da |
| Heavy Atoms | 22 |
| Complexity | 333.0 |
| SMILES | COC1=CC2=C(C=C1)NC=C2CCNCC3=CC=C(C=C3)Cl |
| InChIKey | OMHWFERWNDTMJH-UHFFFAOYSA-N |
The XLogP value of 3.2 indicates that N-(4-chlorobenzyl)-2-(5-methoxy-1H-indol-3-yl)ethanamine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 37.1 Ų, N-(4-chlorobenzyl)-2-(5-methoxy-1H-indol-3-yl)ethanamine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-(4-chlorobenzyl)-2-(5-methoxy-1H-indol-3-yl)ethanamine has 2 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 N-(4-chlorobenzyl)-2-(5-methoxy-1H-indol-3-yl)ethanamine is 155639-11-5.
The molecular formula of N-(4-chlorobenzyl)-2-(5-methoxy-1H-indol-3-yl)ethanamine is C18H19ClN2O.
The molecular weight of N-(4-chlorobenzyl)-2-(5-methoxy-1H-indol-3-yl)ethanamine is 314.1186 g/mol.
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