n-Benzyl-2-(2-nitrophenyl)ethanamine
TL;DR: n-Benzyl-2-(2-nitrophenyl)ethanamine (CAS 5339-07-1) is a chemical compound with molecular formula C15H16N2O2 and molecular weight 256.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-benzyl-2-(2-nitrophenyl)ethanamine
Also Known As: n-benzyl-2-(2-nitrophenyl)ethanamine, N-Benzyl-2-nitrobenzeneethanamine, N-Benzyl-2-(2-nitrophenyl)ethan-1-amine, BENZYL[2-(2-NITROPHENYL)ETHYL]AMINE, J1.044.575B
| Molecular Formula | C15H16N2O2 |
|---|---|
| Molecular Weight | 256.12 g/mol |
| LogP | 3.1 |
| Topological Polar Surface Area | 57.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 256.1212 |
| Heavy Atoms | 19 |
| Complexity | 272.0 |
Chemical Identifiers
| CAS Number | 5339-07-1 |
|---|---|
| SMILES | C1=CC=C(C=C1)CNCCC2=CC=CC=C2[N+](=O)[O-] |
| InChIKey | DJEFWEWOFVLRPW-UHFFFAOYSA-N |
Product Overview
n-Benzyl-2-(2-nitrophenyl)ethanamine (CAS 5339-07-1), with molecular formula C15H16N2O2 and molecular weight 256.12 g/mol. IUPAC: N-benzyl-2-(2-nitrophenyl)ethanamine.
Chemical Property Profile of n-Benzyl-2-(2-nitrophenyl)ethanamine
Property Insights of n-Benzyl-2-(2-nitrophenyl)ethanamine
The XLogP value of 3.1 indicates that n-Benzyl-2-(2-nitrophenyl)ethanamine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 57.9 Ų, n-Benzyl-2-(2-nitrophenyl)ethanamine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, n-Benzyl-2-(2-nitrophenyl)ethanamine 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 n-Benzyl-2-(2-nitrophenyl)ethanamine?
The CAS number of n-Benzyl-2-(2-nitrophenyl)ethanamine is 5339-07-1.
What is the molecular formula of n-Benzyl-2-(2-nitrophenyl)ethanamine?
The molecular formula of n-Benzyl-2-(2-nitrophenyl)ethanamine is C15H16N2O2.
What is the molecular weight of n-Benzyl-2-(2-nitrophenyl)ethanamine?
The molecular weight of n-Benzyl-2-(2-nitrophenyl)ethanamine is 256.12 g/mol.
Where can I buy n-Benzyl-2-(2-nitrophenyl)ethanamine?
You can request a quote for n-Benzyl-2-(2-nitrophenyl)ethanamine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for n-Benzyl-2-(2-nitrophenyl)ethanamine?
Yes, KEHONG BIO provides custom synthesis services for n-Benzyl-2-(2-nitrophenyl)ethanamine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.