![4-chloro-N-[(2-methoxyphenyl)methyl]aniline structure](/static/products/1007/100709-38-4.webp)
4-chloro-N-[(2-methoxyphenyl)methyl]aniline
TL;DR: 4-chloro-N-[(2-methoxyphenyl)methyl]aniline (CAS 100709-38-4) is a chemical compound with molecular formula C14H14ClNO and molecular weight 247.07639 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
4-chloro-N-[(2-methoxyphenyl)methyl]aniline
Also Known As: 4-chloro-N-[(2-methoxyphenyl)methyl]aniline
Technical Specifications
| Molecular Formula | C14H14ClNO |
| Molecular Weight | 247.07639 g/mol |
| XLogP | 4.1 |
| Topological Polar Surface Area (TPSA) | 21.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 247.07639 Da |
| Heavy Atoms | 17 |
| Complexity | 216.0 |
| SMILES | COC1=CC=CC=C1CNC2=CC=C(C=C2)Cl |
| InChIKey | PNAKKKOWIJGRSE-UHFFFAOYSA-N |
Chemical Property Profile of 4-chloro-N-[(2-methoxyphenyl)methyl]aniline
Property Insights of 4-chloro-N-[(2-methoxyphenyl)methyl]aniline
The XLogP value of 4.1 indicates that 4-chloro-N-[(2-methoxyphenyl)methyl]aniline is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 21.3 Ų, 4-chloro-N-[(2-methoxyphenyl)methyl]aniline exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-chloro-N-[(2-methoxyphenyl)methyl]aniline 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
What is the CAS number of 4-chloro-N-[(2-methoxyphenyl)methyl]aniline?
The CAS number of 4-chloro-N-[(2-methoxyphenyl)methyl]aniline is 100709-38-4.
What is the molecular formula of 4-chloro-N-[(2-methoxyphenyl)methyl]aniline?
The molecular formula of 4-chloro-N-[(2-methoxyphenyl)methyl]aniline is C14H14ClNO.
What is the molecular weight of 4-chloro-N-[(2-methoxyphenyl)methyl]aniline?
The molecular weight of 4-chloro-N-[(2-methoxyphenyl)methyl]aniline is 247.07639 g/mol.
Where can I buy 4-chloro-N-[(2-methoxyphenyl)methyl]aniline?
You can request a quote for 4-chloro-N-[(2-methoxyphenyl)methyl]aniline directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 4-chloro-N-[(2-methoxyphenyl)methyl]aniline?
Yes, CoreyChem provides custom synthesis services for 4-chloro-N-[(2-methoxyphenyl)methyl]aniline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.