N-(2-methoxybenzyl)aniline
TL;DR: N-(2-methoxybenzyl)aniline (CAS 77664-18-7) is a chemical compound with molecular formula C14H15NO and molecular weight 213.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[(2-methoxyphenyl)methyl]aniline
Also Known As: N-(2-methoxybenzyl)aniline, (o-Methoxybenzyl)phenylamine, N-(2-methoxybenzyl)-N-phenylamine, N-[(2-methoxyphenyl)methyl]aniline, N-phenyl-2-methoxybenzylamine
| Molecular Formula | C14H15NO |
|---|---|
| Molecular Weight | 213.12 g/mol |
| LogP | 3.5 |
| Topological Polar Surface Area | 21.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 213.11537 |
| Heavy Atoms | 16 |
| Complexity | 189.0 |
Chemical Identifiers
| CAS Number | 77664-18-7 |
|---|---|
| SMILES | COC1=CC=CC=C1CNC2=CC=CC=C2 |
| InChIKey | OOANTTZQXLUEIE-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
N-(2-methoxybenzyl)aniline (CAS 77664-18-7), with molecular formula C14H15NO and molecular weight 213.12 g/mol. IUPAC: N-[(2-methoxyphenyl)methyl]aniline.
Chemical Property Profile of N-(2-methoxybenzyl)aniline
Property Insights of N-(2-methoxybenzyl)aniline
The XLogP value of 3.5 indicates that N-(2-methoxybenzyl)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, N-(2-methoxybenzyl)aniline exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-(2-methoxybenzyl)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
Frequently Asked Questions
What is the CAS number of N-(2-methoxybenzyl)aniline?
The CAS number of N-(2-methoxybenzyl)aniline is 77664-18-7.
What is the molecular formula of N-(2-methoxybenzyl)aniline?
The molecular formula of N-(2-methoxybenzyl)aniline is C14H15NO.
What is the molecular weight of N-(2-methoxybenzyl)aniline?
The molecular weight of N-(2-methoxybenzyl)aniline is 213.12 g/mol.
Where can I buy N-(2-methoxybenzyl)aniline?
You can request a quote for N-(2-methoxybenzyl)aniline directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-(2-methoxybenzyl)aniline?
Yes, KEHONG BIO provides custom synthesis services for N-(2-methoxybenzyl)aniline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.