N,N-diethyl-2-(4-nitrophenyl)ethanamine
TL;DR: N,N-diethyl-2-(4-nitrophenyl)ethanamine (CAS 103620-15-1) is a chemical compound with molecular formula C12H18N2O2 and molecular weight 222.13683 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
N,N-diethyl-2-(4-nitrophenyl)ethanamine
Also Known As: diethyl-(4-nitro-phenethyl)-amine, n,n-diethyl-2-(4-nitrophenyl)ethanamine, Diaethyl-(4-nitro-phenaethyl)-amin, N,N-Diethyl-2-(4-nitrophenyl)ethan-1-amine, N,N-diethyl-N-[2-(4-nitrophenyl)ethyl]amine
Application Areas
Top 5 of 2 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C12H18N2O2 |
| Molecular Weight | 222.13683 g/mol |
| XLogP | 2.9 |
| Topological Polar Surface Area (TPSA) | 49.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 222.13683 Da |
| Heavy Atoms | 16 |
| Complexity | 204.0 |
| SMILES | CCN(CC)CCC1=CC=C(C=C1)[N+](=O)[O-] |
| InChIKey | VCNZJUIRPLTWIQ-UHFFFAOYSA-N |
Chemical Property Profile of N,N-diethyl-2-(4-nitrophenyl)ethanamine
Property Insights of N,N-diethyl-2-(4-nitrophenyl)ethanamine
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N,N-diethyl-2-(4-nitrophenyl)ethanamine. With a topological polar surface area (TPSA) of 49.1 Ų, N,N-diethyl-2-(4-nitrophenyl)ethanamine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N,N-diethyl-2-(4-nitrophenyl)ethanamine 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
What is the CAS number of N,N-diethyl-2-(4-nitrophenyl)ethanamine?
The CAS number of N,N-diethyl-2-(4-nitrophenyl)ethanamine is 103620-15-1.
What is the molecular formula of N,N-diethyl-2-(4-nitrophenyl)ethanamine?
The molecular formula of N,N-diethyl-2-(4-nitrophenyl)ethanamine is C12H18N2O2.
What is the molecular weight of N,N-diethyl-2-(4-nitrophenyl)ethanamine?
The molecular weight of N,N-diethyl-2-(4-nitrophenyl)ethanamine is 222.13683 g/mol.
Where can I buy N,N-diethyl-2-(4-nitrophenyl)ethanamine?
You can request a quote for N,N-diethyl-2-(4-nitrophenyl)ethanamine directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for N,N-diethyl-2-(4-nitrophenyl)ethanamine?
Yes, CoreyChem provides custom synthesis services for N,N-diethyl-2-(4-nitrophenyl)ethanamine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.