Benzenemethanamine, 3-chloro-N-ethyl-5-fluoro-
TL;DR: Benzenemethanamine, 3-chloro-N-ethyl-5-fluoro- (CAS 90389-73-4) is a chemical compound with molecular formula C9H11ClFN and molecular weight 187.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[(3-chloro-5-fluorophenyl)methyl]ethanamine
Also Known As: Benzylamine der, Benzenemethanamine, 3-chloro-N-ethyl-5-fluoro-, N-[(3-chloro-5-fluorophenyl)methyl]ethanamine, 3-CHLORO-N-ETHYL-5-FLUORO-BENZENEMETHANAMINE, N-[(3-chloro-5-fluoro-phenyl)methyl]ethanamine
| Molecular Formula | C9H11ClFN |
|---|---|
| Molecular Weight | 187.06 g/mol |
| LogP | 2.4 |
| Topological Polar Surface Area | 12.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 187.05641 |
| Heavy Atoms | 12 |
| Complexity | 132.0 |
Chemical Identifiers
| CAS Number | 90389-73-4 |
|---|---|
| SMILES | CCNCC1=CC(=CC(=C1)Cl)F |
| InChIKey | GUQUBIDXRKHURR-UHFFFAOYSA-N |
Product Overview
Benzenemethanamine, 3-chloro-N-ethyl-5-fluoro- (CAS 90389-73-4), with molecular formula C9H11ClFN and molecular weight 187.06 g/mol. IUPAC: N-[(3-chloro-5-fluorophenyl)methyl]ethanamine.
Chemical Property Profile of Benzenemethanamine, 3-chloro-N-ethyl-5-fluoro-
Property Insights of Benzenemethanamine, 3-chloro-N-ethyl-5-fluoro-
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Benzenemethanamine, 3-chloro-N-ethyl-5-fluoro-. With a topological polar surface area (TPSA) of 12.0 Ų, Benzenemethanamine, 3-chloro-N-ethyl-5-fluoro- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzenemethanamine, 3-chloro-N-ethyl-5-fluoro- has 1 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Benzenemethanamine, 3-chloro-N-ethyl-5-fluoro-?
The CAS number of Benzenemethanamine, 3-chloro-N-ethyl-5-fluoro- is 90389-73-4.
What is the molecular formula of Benzenemethanamine, 3-chloro-N-ethyl-5-fluoro-?
The molecular formula of Benzenemethanamine, 3-chloro-N-ethyl-5-fluoro- is C9H11ClFN.
What is the molecular weight of Benzenemethanamine, 3-chloro-N-ethyl-5-fluoro-?
The molecular weight of Benzenemethanamine, 3-chloro-N-ethyl-5-fluoro- is 187.06 g/mol.
Where can I buy Benzenemethanamine, 3-chloro-N-ethyl-5-fluoro-?
You can request a quote for Benzenemethanamine, 3-chloro-N-ethyl-5-fluoro- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzenemethanamine, 3-chloro-N-ethyl-5-fluoro-?
Yes, KEHONG BIO provides custom synthesis services for Benzenemethanamine, 3-chloro-N-ethyl-5-fluoro- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.