![3-chloro-N-[(3,4-dimethoxyphenyl)methyl]-4-fluoroaniline structure](/static/products/4168/416865-75-3.webp)
3-chloro-N-[(3,4-dimethoxyphenyl)methyl]-4-fluoroaniline
TL;DR: 3-chloro-N-[(3,4-dimethoxyphenyl)methyl]-4-fluoroaniline (CAS 416865-75-3) is a chemical compound with molecular formula C15H15ClFNO2 and molecular weight 295.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-chloro-N-[(3,4-dimethoxyphenyl)methyl]-4-fluoroaniline
Also Known As: 3-chloro-N-(3,4-dimethoxybenzyl)-4-fluoroaniline, 3-chloro-N-[(3,4-dimethoxyphenyl)methyl]-4-fluoroaniline, AB00085751-01, (3-chloro-4-fluoro-phenyl)-(3,4-dimethoxy-benzyl)-amine
| Molecular Formula | C15H15ClFNO2 |
|---|---|
| Molecular Weight | 295.08 g/mol |
| LogP | 4.1084 |
| Topological Polar Surface Area | 30.49 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 295.07755 |
| Heavy Atoms | 20 |
| Complexity | 604.42255 |
Chemical Identifiers
| CAS Number | 416865-75-3 |
|---|---|
| SMILES | COC1=C(C=C(C=C1)CNC2=CC(=C(C=C2)F)Cl)OC |
Product Overview
3-chloro-N-[(3,4-dimethoxyphenyl)methyl]-4-fluoroaniline (CAS 416865-75-3), with molecular formula C15H15ClFNO2 and molecular weight 295.08 g/mol. IUPAC: 3-chloro-N-[(3,4-dimethoxyphenyl)methyl]-4-fluoroaniline.
Chemical Property Profile of 3-chloro-N-[(3,4-dimethoxyphenyl)methyl]-4-fluoroaniline
Property Insights of 3-chloro-N-[(3,4-dimethoxyphenyl)methyl]-4-fluoroaniline
The XLogP value of 4.1084 indicates that 3-chloro-N-[(3,4-dimethoxyphenyl)methyl]-4-fluoroaniline is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 30.49 Ų, 3-chloro-N-[(3,4-dimethoxyphenyl)methyl]-4-fluoroaniline exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-chloro-N-[(3,4-dimethoxyphenyl)methyl]-4-fluoroaniline 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 3-chloro-N-[(3,4-dimethoxyphenyl)methyl]-4-fluoroaniline?
The CAS number of 3-chloro-N-[(3,4-dimethoxyphenyl)methyl]-4-fluoroaniline is 416865-75-3.
What is the molecular formula of 3-chloro-N-[(3,4-dimethoxyphenyl)methyl]-4-fluoroaniline?
The molecular formula of 3-chloro-N-[(3,4-dimethoxyphenyl)methyl]-4-fluoroaniline is C15H15ClFNO2.
What is the molecular weight of 3-chloro-N-[(3,4-dimethoxyphenyl)methyl]-4-fluoroaniline?
The molecular weight of 3-chloro-N-[(3,4-dimethoxyphenyl)methyl]-4-fluoroaniline is 295.08 g/mol.
Where can I buy 3-chloro-N-[(3,4-dimethoxyphenyl)methyl]-4-fluoroaniline?
You can request a quote for 3-chloro-N-[(3,4-dimethoxyphenyl)methyl]-4-fluoroaniline directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-chloro-N-[(3,4-dimethoxyphenyl)methyl]-4-fluoroaniline?
Yes, KEHONG BIO provides custom synthesis services for 3-chloro-N-[(3,4-dimethoxyphenyl)methyl]-4-fluoroaniline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.