N-butyl-N-phenethylaniline
TL;DR: N-butyl-N-phenethylaniline (CAS 115419-50-6) is a chemical compound with molecular formula C18H23N and molecular weight 253.18304 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
N-butyl-N-(2-phenylethyl)aniline
Also Known As: N-Butyl-N-(2-phenylethyl)aniline, N-butyl-N-phenethylaniline, starbld0010471, N-butyl-N-phenethyl-aniline, J1.631.003D
Technical Specifications
| Molecular Formula | C18H23N |
| Molecular Weight | 253.18304 g/mol |
| XLogP | 5.3 |
| Topological Polar Surface Area (TPSA) | 3.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 7 |
| Exact Mass | 253.18304 Da |
| Heavy Atoms | 19 |
| Complexity | 214.0 |
| SMILES | CCCCN(CCC1=CC=CC=C1)C2=CC=CC=C2 |
| InChIKey | SSUNBVPEGZLKSE-UHFFFAOYSA-N |
Chemical Property Profile of N-butyl-N-phenethylaniline
Property Insights of N-butyl-N-phenethylaniline
The XLogP value of 5.3 indicates that N-butyl-N-phenethylaniline is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 3.2 Ų, N-butyl-N-phenethylaniline exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-butyl-N-phenethylaniline has 0 hydrogen bond donor(s) and 1 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of N-butyl-N-phenethylaniline?
The CAS number of N-butyl-N-phenethylaniline is 115419-50-6.
What is the molecular formula of N-butyl-N-phenethylaniline?
The molecular formula of N-butyl-N-phenethylaniline is C18H23N.
What is the molecular weight of N-butyl-N-phenethylaniline?
The molecular weight of N-butyl-N-phenethylaniline is 253.18304 g/mol.
Where can I buy N-butyl-N-phenethylaniline?
You can request a quote for N-butyl-N-phenethylaniline directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for N-butyl-N-phenethylaniline?
Yes, CoreyChem provides custom synthesis services for N-butyl-N-phenethylaniline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.