2-nitro-N-(2-phenylethyl)-5-(pyrrolidin-1-yl)aniline
TL;DR: 2-nitro-N-(2-phenylethyl)-5-(pyrrolidin-1-yl)aniline (CAS 330177-47-4) is a chemical compound with molecular formula C18H21N3O2 and molecular weight 311.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-nitro-N-(2-phenylethyl)-5-pyrrolidin-1-ylaniline
Also Known As: 2-nitro-N-phenethyl-5-pyrrolidin-1-ylaniline, (2-nitro-5-pyrrolidinylphenyl)(2-phenylethyl)amine, 2-nitro-N-(2-phenylethyl)-5-pyrrolidin-1-ylaniline, 2-nitro-N-(2-phenylethyl)-5-(pyrrolidin-1-yl)aniline, A2293/0096604
| Molecular Formula | C18H21N3O2 |
|---|---|
| Molecular Weight | 311.16 g/mol |
| LogP | 3.8496 |
| Topological Polar Surface Area | 58.41 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 311.1634 |
| Heavy Atoms | 23 |
| Complexity | 667.22186 |
Chemical Identifiers
| CAS Number | 330177-47-4 |
|---|---|
| SMILES | C1CCN(C1)C2=CC(=C(C=C2)[N+](=O)[O-])NCCC3=CC=CC=C3 |
Product Overview
2-nitro-N-(2-phenylethyl)-5-(pyrrolidin-1-yl)aniline (CAS 330177-47-4), with molecular formula C18H21N3O2 and molecular weight 311.16 g/mol. IUPAC: 2-nitro-N-(2-phenylethyl)-5-pyrrolidin-1-ylaniline.
Chemical Property Profile of 2-nitro-N-(2-phenylethyl)-5-(pyrrolidin-1-yl)aniline
Property Insights of 2-nitro-N-(2-phenylethyl)-5-(pyrrolidin-1-yl)aniline
The XLogP value of 3.8496 indicates that 2-nitro-N-(2-phenylethyl)-5-(pyrrolidin-1-yl)aniline is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 58.41 Ų, 2-nitro-N-(2-phenylethyl)-5-(pyrrolidin-1-yl)aniline exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-nitro-N-(2-phenylethyl)-5-(pyrrolidin-1-yl)aniline 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 2-nitro-N-(2-phenylethyl)-5-(pyrrolidin-1-yl)aniline?
The CAS number of 2-nitro-N-(2-phenylethyl)-5-(pyrrolidin-1-yl)aniline is 330177-47-4.
What is the molecular formula of 2-nitro-N-(2-phenylethyl)-5-(pyrrolidin-1-yl)aniline?
The molecular formula of 2-nitro-N-(2-phenylethyl)-5-(pyrrolidin-1-yl)aniline is C18H21N3O2.
What is the molecular weight of 2-nitro-N-(2-phenylethyl)-5-(pyrrolidin-1-yl)aniline?
The molecular weight of 2-nitro-N-(2-phenylethyl)-5-(pyrrolidin-1-yl)aniline is 311.16 g/mol.
Where can I buy 2-nitro-N-(2-phenylethyl)-5-(pyrrolidin-1-yl)aniline?
You can request a quote for 2-nitro-N-(2-phenylethyl)-5-(pyrrolidin-1-yl)aniline directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-nitro-N-(2-phenylethyl)-5-(pyrrolidin-1-yl)aniline?
Yes, KEHONG BIO provides custom synthesis services for 2-nitro-N-(2-phenylethyl)-5-(pyrrolidin-1-yl)aniline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.