N-(5-bromo-2-methoxybenzyl)-N-isobutylamine
TL;DR: N-(5-bromo-2-methoxybenzyl)-N-isobutylamine (CAS 861409-73-6) is a chemical compound with molecular formula C12H18BrNO and molecular weight 271.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[(5-bromo-2-methoxyphenyl)methyl]-2-methylpropan-1-amine
Also Known As: N-(5-bromo-2-methoxybenzyl)-N-isobutylamine, [(5-BROMO-2-METHOXYPHENYL)METHYL](2-METHYLPROPYL)AMINE, N-(5-bromo-2-methoxybenzyl)-2-methylpropan-1-amine, AN-465/42245347, N-[(5-bromo-2-methoxyphenyl)methyl]-2-methylpropan-1-amine
| Molecular Formula | C12H18BrNO |
|---|---|
| Molecular Weight | 271.06 g/mol |
| LogP | 3.2033 |
| Topological Polar Surface Area | 21.26 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 5 |
| Exact Mass | 271.0572 |
| Heavy Atoms | 15 |
| Complexity | 312.49048 |
Chemical Identifiers
| CAS Number | 861409-73-6 |
|---|---|
| SMILES | CC(C)CNCC1=C(C=CC(=C1)Br)OC |
Product Overview
N-(5-bromo-2-methoxybenzyl)-N-isobutylamine (CAS 861409-73-6), with molecular formula C12H18BrNO and molecular weight 271.06 g/mol. IUPAC: N-[(5-bromo-2-methoxyphenyl)methyl]-2-methylpropan-1-amine.
Chemical Property Profile of N-(5-bromo-2-methoxybenzyl)-N-isobutylamine
Property Insights of N-(5-bromo-2-methoxybenzyl)-N-isobutylamine
The XLogP value of 3.2033 indicates that N-(5-bromo-2-methoxybenzyl)-N-isobutylamine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 21.26 Ų, N-(5-bromo-2-methoxybenzyl)-N-isobutylamine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-(5-bromo-2-methoxybenzyl)-N-isobutylamine has 1 hydrogen bond donor(s) and 2 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-(5-bromo-2-methoxybenzyl)-N-isobutylamine?
The CAS number of N-(5-bromo-2-methoxybenzyl)-N-isobutylamine is 861409-73-6.
What is the molecular formula of N-(5-bromo-2-methoxybenzyl)-N-isobutylamine?
The molecular formula of N-(5-bromo-2-methoxybenzyl)-N-isobutylamine is C12H18BrNO.
What is the molecular weight of N-(5-bromo-2-methoxybenzyl)-N-isobutylamine?
The molecular weight of N-(5-bromo-2-methoxybenzyl)-N-isobutylamine is 271.06 g/mol.
Where can I buy N-(5-bromo-2-methoxybenzyl)-N-isobutylamine?
You can request a quote for N-(5-bromo-2-methoxybenzyl)-N-isobutylamine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-(5-bromo-2-methoxybenzyl)-N-isobutylamine?
Yes, KEHONG BIO provides custom synthesis services for N-(5-bromo-2-methoxybenzyl)-N-isobutylamine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.