Benzenemethanamine, N-ethyl-3,5-difluoro-
TL;DR: Benzenemethanamine, N-ethyl-3,5-difluoro- (CAS 90390-29-7) is a chemical compound with molecular formula C9H11F2N and molecular weight 171.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[(3,5-difluorophenyl)methyl]ethanamine
Also Known As: Benzylamine der, 3,5-Difluorobenzylam, Benzenemethanamine, N-ethyl-3,5-difluoro-, N-[(3,5-difluorophenyl)methyl]ethanamine, N-(3,5-Difluorobenzyl)ethanamine
| Molecular Formula | C9H11F2N |
|---|---|
| Molecular Weight | 171.09 g/mol |
| LogP | 1.9 |
| Topological Polar Surface Area | 12.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 171.08595 |
| Heavy Atoms | 12 |
| Complexity | 120.0 |
Chemical Identifiers
| CAS Number | 90390-29-7 |
|---|---|
| SMILES | CCNCC1=CC(=CC(=C1)F)F |
| InChIKey | IDDLDNCSEZNREC-UHFFFAOYSA-N |
Product Overview
Benzenemethanamine, N-ethyl-3,5-difluoro- (CAS 90390-29-7), with molecular formula C9H11F2N and molecular weight 171.09 g/mol. IUPAC: N-[(3,5-difluorophenyl)methyl]ethanamine.
Chemical Property Profile of Benzenemethanamine, N-ethyl-3,5-difluoro-
Property Insights of Benzenemethanamine, N-ethyl-3,5-difluoro-
The XLogP value of 1.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Benzenemethanamine, N-ethyl-3,5-difluoro-. With a topological polar surface area (TPSA) of 12.0 Ų, Benzenemethanamine, N-ethyl-3,5-difluoro- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzenemethanamine, N-ethyl-3,5-difluoro- has 1 hydrogen bond donor(s) and 3 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, N-ethyl-3,5-difluoro-?
The CAS number of Benzenemethanamine, N-ethyl-3,5-difluoro- is 90390-29-7.
What is the molecular formula of Benzenemethanamine, N-ethyl-3,5-difluoro-?
The molecular formula of Benzenemethanamine, N-ethyl-3,5-difluoro- is C9H11F2N.
What is the molecular weight of Benzenemethanamine, N-ethyl-3,5-difluoro-?
The molecular weight of Benzenemethanamine, N-ethyl-3,5-difluoro- is 171.09 g/mol.
Where can I buy Benzenemethanamine, N-ethyl-3,5-difluoro-?
You can request a quote for Benzenemethanamine, N-ethyl-3,5-difluoro- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzenemethanamine, N-ethyl-3,5-difluoro-?
Yes, KEHONG BIO provides custom synthesis services for Benzenemethanamine, N-ethyl-3,5-difluoro- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.