N-((4-Methoxyphenyl)methyl)-3-methylaniline
TL;DR: N-((4-Methoxyphenyl)methyl)-3-methylaniline (CAS 728864-61-7) is a chemical compound with molecular formula C15H17NO and molecular weight 227.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[(4-methoxyphenyl)methyl]-3-methylaniline
Also Known As: N-(4-methoxybenzyl)-3-methylaniline, N-[(4-methoxyphenyl)methyl]-3-methylaniline, NCIOpen2_004684, 4222AD, N-(p-Methoxybenzyl)-3-methyl aniline
| Molecular Formula | C15H17NO |
|---|---|
| Molecular Weight | 227.13 g/mol |
| LogP | 3.7 |
| Topological Polar Surface Area | 21.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 227.13101 |
| Heavy Atoms | 17 |
| Complexity | 211.0 |
Chemical Identifiers
| CAS Number | 728864-61-7 |
|---|---|
| SMILES | CC1=CC(=CC=C1)NCC2=CC=C(C=C2)OC |
| InChIKey | WJBUQDJQMPWYEB-UHFFFAOYSA-N |
Product Overview
N-((4-Methoxyphenyl)methyl)-3-methylaniline (CAS 728864-61-7), with molecular formula C15H17NO and molecular weight 227.13 g/mol. IUPAC: N-[(4-methoxyphenyl)methyl]-3-methylaniline.
Chemical Property Profile of N-((4-Methoxyphenyl)methyl)-3-methylaniline
Property Insights of N-((4-Methoxyphenyl)methyl)-3-methylaniline
The XLogP value of 3.7 indicates that N-((4-Methoxyphenyl)methyl)-3-methylaniline is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 21.3 Ų, N-((4-Methoxyphenyl)methyl)-3-methylaniline exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-((4-Methoxyphenyl)methyl)-3-methylaniline 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 N-((4-Methoxyphenyl)methyl)-3-methylaniline?
The CAS number of N-((4-Methoxyphenyl)methyl)-3-methylaniline is 728864-61-7.
What is the molecular formula of N-((4-Methoxyphenyl)methyl)-3-methylaniline?
The molecular formula of N-((4-Methoxyphenyl)methyl)-3-methylaniline is C15H17NO.
What is the molecular weight of N-((4-Methoxyphenyl)methyl)-3-methylaniline?
The molecular weight of N-((4-Methoxyphenyl)methyl)-3-methylaniline is 227.13 g/mol.
Where can I buy N-((4-Methoxyphenyl)methyl)-3-methylaniline?
You can request a quote for N-((4-Methoxyphenyl)methyl)-3-methylaniline directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-((4-Methoxyphenyl)methyl)-3-methylaniline?
Yes, KEHONG BIO provides custom synthesis services for N-((4-Methoxyphenyl)methyl)-3-methylaniline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.