Isopropyl-(2-(4-nitro-phenyl)-ethyl)-amine
TL;DR: Isopropyl-(2-(4-nitro-phenyl)-ethyl)-amine (CAS 198152-46-4) 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.
N-[2-(4-nitrophenyl)ethyl]propan-2-amine
Also Known As: n-[2-(4-nitrophenyl)ethyl]propan-2-amine, N-(4-Nitrophenethyl)propan-2-amine, isopropyl-(4-nitro-phenethyl)-amine, Isopropyl-(4-nitro-phenaethyl)-amin, ISOPROPYL-(2-(4-NITRO-PHENYL)-ETHYL)-AMINE
| Molecular Formula | C11H16N2O2 |
|---|---|
| Molecular Weight | 208.12 g/mol |
| LogP | 2.5 |
| 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 | 198152-46-4 |
|---|---|
| SMILES | CC(C)NCCC1=CC=C(C=C1)[N+](=O)[O-] |
| InChIKey | SJHATZJNMYCGEU-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Isopropyl-(2-(4-nitro-phenyl)-ethyl)-amine (CAS 198152-46-4), with molecular formula C11H16N2O2 and molecular weight 208.12 g/mol. IUPAC: N-[2-(4-nitrophenyl)ethyl]propan-2-amine.
Chemical Property Profile of Isopropyl-(2-(4-nitro-phenyl)-ethyl)-amine
Property Insights of Isopropyl-(2-(4-nitro-phenyl)-ethyl)-amine
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Isopropyl-(2-(4-nitro-phenyl)-ethyl)-amine. With a topological polar surface area (TPSA) of 57.9 Ų, Isopropyl-(2-(4-nitro-phenyl)-ethyl)-amine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Isopropyl-(2-(4-nitro-phenyl)-ethyl)-amine 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 Isopropyl-(2-(4-nitro-phenyl)-ethyl)-amine?
The CAS number of Isopropyl-(2-(4-nitro-phenyl)-ethyl)-amine is 198152-46-4.
What is the molecular formula of Isopropyl-(2-(4-nitro-phenyl)-ethyl)-amine?
The molecular formula of Isopropyl-(2-(4-nitro-phenyl)-ethyl)-amine is C11H16N2O2.
What is the molecular weight of Isopropyl-(2-(4-nitro-phenyl)-ethyl)-amine?
The molecular weight of Isopropyl-(2-(4-nitro-phenyl)-ethyl)-amine is 208.12 g/mol.
Where can I buy Isopropyl-(2-(4-nitro-phenyl)-ethyl)-amine?
You can request a quote for Isopropyl-(2-(4-nitro-phenyl)-ethyl)-amine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Isopropyl-(2-(4-nitro-phenyl)-ethyl)-amine?
Yes, KEHONG BIO provides custom synthesis services for Isopropyl-(2-(4-nitro-phenyl)-ethyl)-amine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.