N-(2-Methylpropyl)-4-nitrobenzenemethanamine
TL;DR: N-(2-Methylpropyl)-4-nitrobenzenemethanamine (CAS 347405-97-4) is a chemical compound with molecular formula C11H16N2O2 and molecular weight 208.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-methyl-N-[(4-nitrophenyl)methyl]propan-1-amine
Also Known As: N-(4-Nitrobenzyl)isobutylamine, (2-METHYLPROPYL)[(4-NITROPHENYL)METHYL]AMINE, N-Isobutyl-4-nitrobenzenemethanamine, N-(2-Methylpropyl)-4-nitrobenzenemethanamine, (2-methylpropyl)(4-nitrophenyl)methylamine
| Molecular Formula | C11H16N2O2 |
|---|---|
| Molecular Weight | 208.12 g/mol |
| LogP | 2.8 |
| Topological Polar Surface Area | 57.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 208.12119 |
| Heavy Atoms | 15 |
| Complexity | 193.0 |
Chemical Identifiers
| CAS Number | 347405-97-4 |
|---|---|
| SMILES | CC(C)CNCC1=CC=C(C=C1)[N+](=O)[O-] |
| InChIKey | HPYJMVGZNHZEQP-UHFFFAOYSA-N |
Product Overview
N-(2-Methylpropyl)-4-nitrobenzenemethanamine (CAS 347405-97-4), with molecular formula C11H16N2O2 and molecular weight 208.12 g/mol. IUPAC: 2-methyl-N-[(4-nitrophenyl)methyl]propan-1-amine.
Chemical Property Profile of N-(2-Methylpropyl)-4-nitrobenzenemethanamine
Property Insights of N-(2-Methylpropyl)-4-nitrobenzenemethanamine
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-(2-Methylpropyl)-4-nitrobenzenemethanamine. With a topological polar surface area (TPSA) of 57.9 Ų, N-(2-Methylpropyl)-4-nitrobenzenemethanamine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-(2-Methylpropyl)-4-nitrobenzenemethanamine 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 N-(2-Methylpropyl)-4-nitrobenzenemethanamine?
The CAS number of N-(2-Methylpropyl)-4-nitrobenzenemethanamine is 347405-97-4.
What is the molecular formula of N-(2-Methylpropyl)-4-nitrobenzenemethanamine?
The molecular formula of N-(2-Methylpropyl)-4-nitrobenzenemethanamine is C11H16N2O2.
What is the molecular weight of N-(2-Methylpropyl)-4-nitrobenzenemethanamine?
The molecular weight of N-(2-Methylpropyl)-4-nitrobenzenemethanamine is 208.12 g/mol.
Where can I buy N-(2-Methylpropyl)-4-nitrobenzenemethanamine?
You can request a quote for N-(2-Methylpropyl)-4-nitrobenzenemethanamine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-(2-Methylpropyl)-4-nitrobenzenemethanamine?
Yes, KEHONG BIO provides custom synthesis services for N-(2-Methylpropyl)-4-nitrobenzenemethanamine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.