1-(3,5-dimethoxyphenyl)-N-(2-nitrobenzyl)methanamine
TL;DR: 1-(3,5-dimethoxyphenyl)-N-(2-nitrobenzyl)methanamine (CAS 5522-83-8) is a chemical compound with molecular formula C16H18N2O4 and molecular weight 302.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[(3,5-dimethoxyphenyl)methyl]-1-(2-nitrophenyl)methanamine
Also Known As: KST-1A6011, (3,5-Dimethoxy-benzyl)-(2-nitro-benzyl)-amine, BAS 01125154, (3,5-dimethoxybenzyl)(2-nitrobenzyl)amine, BIM-0022494.P001
| Molecular Formula | C16H18N2O4 |
|---|---|
| Molecular Weight | 302.13 g/mol |
| LogP | 2.9018 |
| Topological Polar Surface Area | 73.63 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 302.12665 |
| Heavy Atoms | 22 |
| Complexity | 636.0941 |
Chemical Identifiers
| CAS Number | 5522-83-8 |
|---|---|
| SMILES | COC1=CC(=CC(=C1)CNCC2=CC=CC=C2[N+](=O)[O-])OC |
Product Overview
1-(3,5-dimethoxyphenyl)-N-(2-nitrobenzyl)methanamine (CAS 5522-83-8), with molecular formula C16H18N2O4 and molecular weight 302.13 g/mol. IUPAC: N-[(3,5-dimethoxyphenyl)methyl]-1-(2-nitrophenyl)methanamine.
Chemical Property Profile of 1-(3,5-dimethoxyphenyl)-N-(2-nitrobenzyl)methanamine
Property Insights of 1-(3,5-dimethoxyphenyl)-N-(2-nitrobenzyl)methanamine
The XLogP value of 2.9018 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(3,5-dimethoxyphenyl)-N-(2-nitrobenzyl)methanamine. The TPSA of 73.63 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-(3,5-dimethoxyphenyl)-N-(2-nitrobenzyl)methanamine. Following Lipinski's Rule of Five, 1-(3,5-dimethoxyphenyl)-N-(2-nitrobenzyl)methanamine has 1 hydrogen bond donor(s) and 5 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 1-(3,5-dimethoxyphenyl)-N-(2-nitrobenzyl)methanamine?
The CAS number of 1-(3,5-dimethoxyphenyl)-N-(2-nitrobenzyl)methanamine is 5522-83-8.
What is the molecular formula of 1-(3,5-dimethoxyphenyl)-N-(2-nitrobenzyl)methanamine?
The molecular formula of 1-(3,5-dimethoxyphenyl)-N-(2-nitrobenzyl)methanamine is C16H18N2O4.
What is the molecular weight of 1-(3,5-dimethoxyphenyl)-N-(2-nitrobenzyl)methanamine?
The molecular weight of 1-(3,5-dimethoxyphenyl)-N-(2-nitrobenzyl)methanamine is 302.13 g/mol.
Where can I buy 1-(3,5-dimethoxyphenyl)-N-(2-nitrobenzyl)methanamine?
You can request a quote for 1-(3,5-dimethoxyphenyl)-N-(2-nitrobenzyl)methanamine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(3,5-dimethoxyphenyl)-N-(2-nitrobenzyl)methanamine?
Yes, KEHONG BIO provides custom synthesis services for 1-(3,5-dimethoxyphenyl)-N-(2-nitrobenzyl)methanamine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.