Benzenemethanamine, N,N-bis(2-chloroethyl)-3-fluoro-
TL;DR: Benzenemethanamine, N,N-bis(2-chloroethyl)-3-fluoro- (CAS 1542-44-5) is a chemical compound with molecular formula C11H14Cl2FN and molecular weight 249.04874 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-chloro-N-(2-chloroethyl)-N-[(3-fluorophenyl)methyl]ethanamine
Also Known As: m-Fluoro-dcba, N,N-Bis(2-chloroethyl)-m-fluorobenzylamine, m-Fluoro-di-(2-chloroethyl)-benzylamine, NCIOpen2_008838, N,N-Bis(2-chloroethyl)-3-fluorobenzenemethanamine
Technical Specifications
| Molecular Formula | C11H14Cl2FN |
| Molecular Weight | 249.04874 g/mol |
| XLogP | 3.4 |
| Topological Polar Surface Area (TPSA) | 3.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 6 |
| Exact Mass | 249.04874 Da |
| Heavy Atoms | 15 |
| Complexity | 163.0 |
| SMILES | C1=CC(=CC(=C1)F)CN(CCCl)CCCl |
| InChIKey | KBAYQRXDWMAVEF-UHFFFAOYSA-N |
Chemical Property Profile of Benzenemethanamine, N,N-bis(2-chloroethyl)-3-fluoro-
Property Insights of Benzenemethanamine, N,N-bis(2-chloroethyl)-3-fluoro-
The XLogP value of 3.4 indicates that Benzenemethanamine, N,N-bis(2-chloroethyl)-3-fluoro- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 3.2 Ų, Benzenemethanamine, N,N-bis(2-chloroethyl)-3-fluoro- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzenemethanamine, N,N-bis(2-chloroethyl)-3-fluoro- has 0 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of Benzenemethanamine, N,N-bis(2-chloroethyl)-3-fluoro-?
The CAS number of Benzenemethanamine, N,N-bis(2-chloroethyl)-3-fluoro- is 1542-44-5.
What is the molecular formula of Benzenemethanamine, N,N-bis(2-chloroethyl)-3-fluoro-?
The molecular formula of Benzenemethanamine, N,N-bis(2-chloroethyl)-3-fluoro- is C11H14Cl2FN.
What is the molecular weight of Benzenemethanamine, N,N-bis(2-chloroethyl)-3-fluoro-?
The molecular weight of Benzenemethanamine, N,N-bis(2-chloroethyl)-3-fluoro- is 249.04874 g/mol.
Where can I buy Benzenemethanamine, N,N-bis(2-chloroethyl)-3-fluoro-?
You can request a quote for Benzenemethanamine, N,N-bis(2-chloroethyl)-3-fluoro- directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Benzenemethanamine, N,N-bis(2-chloroethyl)-3-fluoro-?
Yes, CoreyChem provides custom synthesis services for Benzenemethanamine, N,N-bis(2-chloroethyl)-3-fluoro- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.