N-(4-Chlorobenzylidene)-3,4-dimethoxyphenethylamine
TL;DR: N-(4-Chlorobenzylidene)-3,4-dimethoxyphenethylamine (CAS 15994-13-5) is a chemical compound with molecular formula C17H18ClNO2 and molecular weight 303.1026 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-(4-chlorophenyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]methanimine
Also Known As: VR [chemical warfare agent], N-(4-CHLOROBENZYLIDENE)-3,4-DIMETHOXYPHENETHYLAMINE, 1-(4-chlorophenyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]methanimine, N-(4-Chlorobenzylidene)-2-(3,4-dimethoxyphenyl)ethanamine, 1-(4-chlorophenyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]methanimi
Technical Specifications
| Molecular Formula | C17H18ClNO2 |
| Molecular Weight | 303.1026 g/mol |
| XLogP | 3.6 |
| Topological Polar Surface Area (TPSA) | 30.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 6 |
| Exact Mass | 303.1026 Da |
| Heavy Atoms | 21 |
| Complexity | 316.0 |
| SMILES | COC1=C(C=C(C=C1)CCN=CC2=CC=C(C=C2)Cl)OC |
| InChIKey | UABUEEHVUFGZBY-UHFFFAOYSA-N |
Chemical Property Profile of N-(4-Chlorobenzylidene)-3,4-dimethoxyphenethylamine
Property Insights of N-(4-Chlorobenzylidene)-3,4-dimethoxyphenethylamine
The XLogP value of 3.6 indicates that N-(4-Chlorobenzylidene)-3,4-dimethoxyphenethylamine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 30.8 Ų, N-(4-Chlorobenzylidene)-3,4-dimethoxyphenethylamine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-(4-Chlorobenzylidene)-3,4-dimethoxyphenethylamine has 0 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of N-(4-Chlorobenzylidene)-3,4-dimethoxyphenethylamine?
The CAS number of N-(4-Chlorobenzylidene)-3,4-dimethoxyphenethylamine is 15994-13-5.
What is the molecular formula of N-(4-Chlorobenzylidene)-3,4-dimethoxyphenethylamine?
The molecular formula of N-(4-Chlorobenzylidene)-3,4-dimethoxyphenethylamine is C17H18ClNO2.
What is the molecular weight of N-(4-Chlorobenzylidene)-3,4-dimethoxyphenethylamine?
The molecular weight of N-(4-Chlorobenzylidene)-3,4-dimethoxyphenethylamine is 303.1026 g/mol.
Where can I buy N-(4-Chlorobenzylidene)-3,4-dimethoxyphenethylamine?
You can request a quote for N-(4-Chlorobenzylidene)-3,4-dimethoxyphenethylamine directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for N-(4-Chlorobenzylidene)-3,4-dimethoxyphenethylamine?
Yes, CoreyChem provides custom synthesis services for N-(4-Chlorobenzylidene)-3,4-dimethoxyphenethylamine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.