2-nitro-N-(1-phenylethyl)-5-pyrrolidin-1-ylaniline
TL;DR: 2-nitro-N-(1-phenylethyl)-5-pyrrolidin-1-ylaniline (CAS 347355-81-1) 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-(1-phenylethyl)-5-pyrrolidin-1-ylaniline
Also Known As: 2-nitro-N-(1-phenylethyl)-5-pyrrolidin-1-ylaniline, 2-nitro-N-(1-phenylethyl)-5-(pyrrolidin-1-yl)aniline, (2-nitro-5-pyrrolidinylphenyl)(phenylethyl)amine, 2-nitro-N-(1-phenylethyl)-5-(1-pyrrolidinyl)aniline, 1-{4-nitro-3-[(1-phenylethyl)amino]phenyl}pyrrolidine
| Molecular Formula | C18H21N3O2 |
|---|---|
| Molecular Weight | 311.16 g/mol |
| LogP | 4.3681 |
| Topological Polar Surface Area | 58.41 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 311.1634 |
| Heavy Atoms | 23 |
| Complexity | 681.92096 |
Chemical Identifiers
| CAS Number | 347355-81-1 |
|---|---|
| SMILES | CC(C1=CC=CC=C1)NC2=C(C=CC(=C2)N3CCCC3)[N+](=O)[O-] |
Product Overview
2-nitro-N-(1-phenylethyl)-5-pyrrolidin-1-ylaniline (CAS 347355-81-1), with molecular formula C18H21N3O2 and molecular weight 311.16 g/mol. IUPAC: 2-nitro-N-(1-phenylethyl)-5-pyrrolidin-1-ylaniline.
Chemical Property Profile of 2-nitro-N-(1-phenylethyl)-5-pyrrolidin-1-ylaniline
Property Insights of 2-nitro-N-(1-phenylethyl)-5-pyrrolidin-1-ylaniline
The XLogP value of 4.3681 indicates that 2-nitro-N-(1-phenylethyl)-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, 2-nitro-N-(1-phenylethyl)-5-pyrrolidin-1-ylaniline exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-nitro-N-(1-phenylethyl)-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 2-nitro-N-(1-phenylethyl)-5-pyrrolidin-1-ylaniline?
The CAS number of 2-nitro-N-(1-phenylethyl)-5-pyrrolidin-1-ylaniline is 347355-81-1.
What is the molecular formula of 2-nitro-N-(1-phenylethyl)-5-pyrrolidin-1-ylaniline?
The molecular formula of 2-nitro-N-(1-phenylethyl)-5-pyrrolidin-1-ylaniline is C18H21N3O2.
What is the molecular weight of 2-nitro-N-(1-phenylethyl)-5-pyrrolidin-1-ylaniline?
The molecular weight of 2-nitro-N-(1-phenylethyl)-5-pyrrolidin-1-ylaniline is 311.16 g/mol.
Where can I buy 2-nitro-N-(1-phenylethyl)-5-pyrrolidin-1-ylaniline?
You can request a quote for 2-nitro-N-(1-phenylethyl)-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 2-nitro-N-(1-phenylethyl)-5-pyrrolidin-1-ylaniline?
Yes, KEHONG BIO provides custom synthesis services for 2-nitro-N-(1-phenylethyl)-5-pyrrolidin-1-ylaniline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.