![2-methyl-N-[2-(4-nitrophenyl)ethyl]propan-1-amine structure](/static/products/5885/5885-99-4.webp)
2-methyl-N-[2-(4-nitrophenyl)ethyl]propan-1-amine
TL;DR: 2-methyl-N-[2-(4-nitrophenyl)ethyl]propan-1-amine (CAS 5885-99-4) is a chemical compound with molecular formula C12H18N2O2 and molecular weight 222.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-methyl-N-[2-(4-nitrophenyl)ethyl]propan-1-amine
Also Known As: isobutyl-(4-nitro-phenethyl)-amine, 2-methyl-n-[2-(4-nitrophenyl)ethyl]propan-1-amine, 3-dodecyl-2,5-dihydroxycyclohexa-2,5-diene-1,4-dione
| Molecular Formula | C12H18N2O2 |
|---|---|
| Molecular Weight | 222.14 g/mol |
| LogP | 3.0 |
| Topological Polar Surface Area | 57.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 222.13683 |
| Heavy Atoms | 16 |
| Complexity | 206.0 |
Chemical Identifiers
| CAS Number | 5885-99-4 |
|---|---|
| SMILES | CC(C)CNCCC1=CC=C(C=C1)[N+](=O)[O-] |
| InChIKey | RQJBIAOYTXZLRN-UHFFFAOYSA-N |
Product Overview
2-methyl-N-[2-(4-nitrophenyl)ethyl]propan-1-amine (CAS 5885-99-4), with molecular formula C12H18N2O2 and molecular weight 222.14 g/mol. IUPAC: 2-methyl-N-[2-(4-nitrophenyl)ethyl]propan-1-amine.
Chemical Property Profile of 2-methyl-N-[2-(4-nitrophenyl)ethyl]propan-1-amine
Property Insights of 2-methyl-N-[2-(4-nitrophenyl)ethyl]propan-1-amine
The XLogP value of 3.0 indicates that 2-methyl-N-[2-(4-nitrophenyl)ethyl]propan-1-amine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 57.9 Ų, 2-methyl-N-[2-(4-nitrophenyl)ethyl]propan-1-amine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-methyl-N-[2-(4-nitrophenyl)ethyl]propan-1-amine 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 2-methyl-N-[2-(4-nitrophenyl)ethyl]propan-1-amine?
The CAS number of 2-methyl-N-[2-(4-nitrophenyl)ethyl]propan-1-amine is 5885-99-4.
What is the molecular formula of 2-methyl-N-[2-(4-nitrophenyl)ethyl]propan-1-amine?
The molecular formula of 2-methyl-N-[2-(4-nitrophenyl)ethyl]propan-1-amine is C12H18N2O2.
What is the molecular weight of 2-methyl-N-[2-(4-nitrophenyl)ethyl]propan-1-amine?
The molecular weight of 2-methyl-N-[2-(4-nitrophenyl)ethyl]propan-1-amine is 222.14 g/mol.
Where can I buy 2-methyl-N-[2-(4-nitrophenyl)ethyl]propan-1-amine?
You can request a quote for 2-methyl-N-[2-(4-nitrophenyl)ethyl]propan-1-amine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-methyl-N-[2-(4-nitrophenyl)ethyl]propan-1-amine?
Yes, KEHONG BIO provides custom synthesis services for 2-methyl-N-[2-(4-nitrophenyl)ethyl]propan-1-amine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.