N-(2,2-dimethylpropyl)-2-nitro-5-pyrrolidin-1-ylaniline
TL;DR: N-(2,2-dimethylpropyl)-2-nitro-5-pyrrolidin-1-ylaniline (CAS 714279-16-0) is a chemical compound with molecular formula C15H23N3O2 and molecular weight 277.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(2,2-dimethylpropyl)-2-nitro-5-pyrrolidin-1-ylaniline
Also Known As: N-(2,2-dimethylpropyl)-2-nitro-5-pyrrolidin-1-ylaniline, N-(2,2-dimethylpropyl)-2-nitro-5-(pyrrolidin-1-yl)aniline, (2,2-dimethylpropyl)(2-nitro-5-pyrrolidinylphenyl)amine, (2,2-dimethylpropyl)[2-nitro-5-(1-pyrrolidinyl)phenyl]amine
| Molecular Formula | C15H23N3O2 |
|---|---|
| Molecular Weight | 277.18 g/mol |
| LogP | 3.653 |
| Topological Polar Surface Area | 58.41 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 277.17902 |
| Heavy Atoms | 20 |
| Complexity | 488.38226 |
Chemical Identifiers
| CAS Number | 714279-16-0 |
|---|---|
| SMILES | CC(C)(C)CNC1=C(C=CC(=C1)N2CCCC2)[N+](=O)[O-] |
Product Overview
N-(2,2-dimethylpropyl)-2-nitro-5-pyrrolidin-1-ylaniline (CAS 714279-16-0), with molecular formula C15H23N3O2 and molecular weight 277.18 g/mol. IUPAC: N-(2,2-dimethylpropyl)-2-nitro-5-pyrrolidin-1-ylaniline.
Chemical Property Profile of N-(2,2-dimethylpropyl)-2-nitro-5-pyrrolidin-1-ylaniline
Property Insights of N-(2,2-dimethylpropyl)-2-nitro-5-pyrrolidin-1-ylaniline
The XLogP value of 3.653 indicates that N-(2,2-dimethylpropyl)-2-nitro-5-pyrrolidin-1-ylaniline is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 58.41 Ų, N-(2,2-dimethylpropyl)-2-nitro-5-pyrrolidin-1-ylaniline exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-(2,2-dimethylpropyl)-2-nitro-5-pyrrolidin-1-ylaniline has 1 hydrogen bond donor(s) and 4 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-(2,2-dimethylpropyl)-2-nitro-5-pyrrolidin-1-ylaniline?
The CAS number of N-(2,2-dimethylpropyl)-2-nitro-5-pyrrolidin-1-ylaniline is 714279-16-0.
What is the molecular formula of N-(2,2-dimethylpropyl)-2-nitro-5-pyrrolidin-1-ylaniline?
The molecular formula of N-(2,2-dimethylpropyl)-2-nitro-5-pyrrolidin-1-ylaniline is C15H23N3O2.
What is the molecular weight of N-(2,2-dimethylpropyl)-2-nitro-5-pyrrolidin-1-ylaniline?
The molecular weight of N-(2,2-dimethylpropyl)-2-nitro-5-pyrrolidin-1-ylaniline is 277.18 g/mol.
Where can I buy N-(2,2-dimethylpropyl)-2-nitro-5-pyrrolidin-1-ylaniline?
You can request a quote for N-(2,2-dimethylpropyl)-2-nitro-5-pyrrolidin-1-ylaniline directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-(2,2-dimethylpropyl)-2-nitro-5-pyrrolidin-1-ylaniline?
Yes, KEHONG BIO provides custom synthesis services for N-(2,2-dimethylpropyl)-2-nitro-5-pyrrolidin-1-ylaniline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.