N-(2-chloro-6-fluorobenzyl)-N-pentylamine
TL;DR: N-(2-chloro-6-fluorobenzyl)-N-pentylamine (CAS 774547-37-4) is a chemical compound with molecular formula C12H17ClFN and molecular weight 229.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[(2-chloro-6-fluorophenyl)methyl]pentan-1-amine
Also Known As: N-(2-chloro-6-fluorobenzyl)-N-pentylamine, N-(2-chloro-6-fluorobenzyl)pentan-1-amine, [(2-CHLORO-6-FLUOROPHENYL)METHYL](PENTYL)AMINE, N-[(2-chloro-6-fluorophenyl)methyl]pentan-1-amine, AN-465/42245802
| Molecular Formula | C12H17ClFN |
|---|---|
| Molecular Weight | 229.10 g/mol |
| LogP | 3.7589 |
| Topological Polar Surface Area | 12.03 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 6 |
| Exact Mass | 229.10335 |
| Heavy Atoms | 15 |
| Complexity | 281.42365 |
Chemical Identifiers
| CAS Number | 774547-37-4 |
|---|---|
| SMILES | CCCCCNCC1=C(C=CC=C1Cl)F |
Product Overview
N-(2-chloro-6-fluorobenzyl)-N-pentylamine (CAS 774547-37-4), with molecular formula C12H17ClFN and molecular weight 229.10 g/mol. IUPAC: N-[(2-chloro-6-fluorophenyl)methyl]pentan-1-amine.
Chemical Property Profile of N-(2-chloro-6-fluorobenzyl)-N-pentylamine
Property Insights of N-(2-chloro-6-fluorobenzyl)-N-pentylamine
The XLogP value of 3.7589 indicates that N-(2-chloro-6-fluorobenzyl)-N-pentylamine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 12.03 Ų, N-(2-chloro-6-fluorobenzyl)-N-pentylamine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-(2-chloro-6-fluorobenzyl)-N-pentylamine has 1 hydrogen bond donor(s) and 1 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 N-(2-chloro-6-fluorobenzyl)-N-pentylamine?
The CAS number of N-(2-chloro-6-fluorobenzyl)-N-pentylamine is 774547-37-4.
What is the molecular formula of N-(2-chloro-6-fluorobenzyl)-N-pentylamine?
The molecular formula of N-(2-chloro-6-fluorobenzyl)-N-pentylamine is C12H17ClFN.
What is the molecular weight of N-(2-chloro-6-fluorobenzyl)-N-pentylamine?
The molecular weight of N-(2-chloro-6-fluorobenzyl)-N-pentylamine is 229.10 g/mol.
Where can I buy N-(2-chloro-6-fluorobenzyl)-N-pentylamine?
You can request a quote for N-(2-chloro-6-fluorobenzyl)-N-pentylamine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-(2-chloro-6-fluorobenzyl)-N-pentylamine?
Yes, KEHONG BIO provides custom synthesis services for N-(2-chloro-6-fluorobenzyl)-N-pentylamine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.