![N-methyl-N-[(4-nitrophenyl)methyl]aniline structure](/static/products/5774/5774-47-0.webp)
N-methyl-N-[(4-nitrophenyl)methyl]aniline
TL;DR: N-methyl-N-[(4-nitrophenyl)methyl]aniline (CAS 5774-47-0) 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.
N-methyl-N-[(4-nitrophenyl)methyl]aniline
Also Known As: NCIOpen2_005110, n-methyl-n-(4-nitrobenzyl)aniline, N-methyl-N-[(4-nitrophenyl)methyl]aniline, methyl-(4-nitrobenzyl)-phenyl-amine, N-Methyl-N-phenyl-4-nitrobenzylamine
| Molecular Formula | C14H14N2O2 |
|---|---|
| Molecular Weight | 242.11 g/mol |
| LogP | 4.0 |
| Topological Polar Surface Area | 49.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 242.10553 |
| Heavy Atoms | 18 |
| Complexity | 263.0 |
Chemical Identifiers
| CAS Number | 5774-47-0 |
|---|---|
| SMILES | CN(CC1=CC=C(C=C1)[N+](=O)[O-])C2=CC=CC=C2 |
| InChIKey | DVCSMFBQEXZMES-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
N-methyl-N-[(4-nitrophenyl)methyl]aniline (CAS 5774-47-0), with molecular formula C14H14N2O2 and molecular weight 242.11 g/mol. IUPAC: N-methyl-N-[(4-nitrophenyl)methyl]aniline.
Chemical Property Profile of N-methyl-N-[(4-nitrophenyl)methyl]aniline
Property Insights of N-methyl-N-[(4-nitrophenyl)methyl]aniline
The XLogP value of 4.0 indicates that N-methyl-N-[(4-nitrophenyl)methyl]aniline is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 49.1 Ų, N-methyl-N-[(4-nitrophenyl)methyl]aniline exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-methyl-N-[(4-nitrophenyl)methyl]aniline has 0 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 N-methyl-N-[(4-nitrophenyl)methyl]aniline?
The CAS number of N-methyl-N-[(4-nitrophenyl)methyl]aniline is 5774-47-0.
What is the molecular formula of N-methyl-N-[(4-nitrophenyl)methyl]aniline?
The molecular formula of N-methyl-N-[(4-nitrophenyl)methyl]aniline is C14H14N2O2.
What is the molecular weight of N-methyl-N-[(4-nitrophenyl)methyl]aniline?
The molecular weight of N-methyl-N-[(4-nitrophenyl)methyl]aniline is 242.11 g/mol.
Where can I buy N-methyl-N-[(4-nitrophenyl)methyl]aniline?
You can request a quote for N-methyl-N-[(4-nitrophenyl)methyl]aniline directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-methyl-N-[(4-nitrophenyl)methyl]aniline?
Yes, KEHONG BIO provides custom synthesis services for N-methyl-N-[(4-nitrophenyl)methyl]aniline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.