2-methyl-N-(3-nitrobenzyl)aniline
TL;DR: 2-methyl-N-(3-nitrobenzyl)aniline (CAS 446027-66-3) is a chemical compound with molecular formula C14H14N2O2 and molecular weight 242.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-methyl-N-[(3-nitrophenyl)methyl]aniline
Also Known As: 2-methyl-N-(3-nitrobenzyl)aniline, ZERO/001794, (3-Nitro-benzyl)-O-tolyl-amine, 2-methyl-N-[(3-nitrophenyl)methyl]aniline, (2-methylphenyl)[(3-nitrophenyl)methyl]amine
| Molecular Formula | C14H14N2O2 |
|---|---|
| Molecular Weight | 242.11 g/mol |
| LogP | 3.6 |
| Topological Polar Surface Area | 57.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 242.10553 |
| Heavy Atoms | 18 |
| Complexity | 277.0 |
Chemical Identifiers
| CAS Number | 446027-66-3 |
|---|---|
| SMILES | CC1=CC=CC=C1NCC2=CC(=CC=C2)[N+](=O)[O-] |
| InChIKey | PZMHFEAVCWYYLO-UHFFFAOYSA-N |
Product Overview
2-methyl-N-(3-nitrobenzyl)aniline (CAS 446027-66-3), with molecular formula C14H14N2O2 and molecular weight 242.11 g/mol. IUPAC: 2-methyl-N-[(3-nitrophenyl)methyl]aniline.
Chemical Property Profile of 2-methyl-N-(3-nitrobenzyl)aniline
Property Insights of 2-methyl-N-(3-nitrobenzyl)aniline
The XLogP value of 3.6 indicates that 2-methyl-N-(3-nitrobenzyl)aniline is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 57.9 Ų, 2-methyl-N-(3-nitrobenzyl)aniline exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-methyl-N-(3-nitrobenzyl)aniline 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 2-methyl-N-(3-nitrobenzyl)aniline?
The CAS number of 2-methyl-N-(3-nitrobenzyl)aniline is 446027-66-3.
What is the molecular formula of 2-methyl-N-(3-nitrobenzyl)aniline?
The molecular formula of 2-methyl-N-(3-nitrobenzyl)aniline is C14H14N2O2.
What is the molecular weight of 2-methyl-N-(3-nitrobenzyl)aniline?
The molecular weight of 2-methyl-N-(3-nitrobenzyl)aniline is 242.11 g/mol.
Where can I buy 2-methyl-N-(3-nitrobenzyl)aniline?
You can request a quote for 2-methyl-N-(3-nitrobenzyl)aniline directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-methyl-N-(3-nitrobenzyl)aniline?
Yes, KEHONG BIO provides custom synthesis services for 2-methyl-N-(3-nitrobenzyl)aniline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.