(3-Chlorobenzyl)isobutylamine
TL;DR: (3-Chlorobenzyl)isobutylamine (CAS 893589-64-5) is a chemical compound with molecular formula C11H16ClN and molecular weight 197.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[(3-chlorophenyl)methyl]-2-methylpropan-1-amine
Also Known As: (3-CHLOROBENZYL)ISOBUTYLAMINE, [(3-chlorophenyl)methyl](2-methylpropyl)amine, N-(3-chlorobenzyl)-2-methylpropan-1-amine, CHEMBRDG-BB9070594, CHEMBRDG-BB 9070594
| Molecular Formula | C11H16ClN |
|---|---|
| Molecular Weight | 197.10 g/mol |
| LogP | 3.0856 |
| Topological Polar Surface Area | 12.03 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 4 |
| Exact Mass | 197.09712 |
| Heavy Atoms | 13 |
| Complexity | 258.02213 |
Chemical Identifiers
| CAS Number | 893589-64-5 |
|---|---|
| SMILES | CC(C)CNCC1=CC(=CC=C1)Cl |
Product Overview
(3-Chlorobenzyl)isobutylamine (CAS 893589-64-5), with molecular formula C11H16ClN and molecular weight 197.10 g/mol. IUPAC: N-[(3-chlorophenyl)methyl]-2-methylpropan-1-amine.
Chemical Property Profile of (3-Chlorobenzyl)isobutylamine
Property Insights of (3-Chlorobenzyl)isobutylamine
The XLogP value of 3.0856 indicates that (3-Chlorobenzyl)isobutylamine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 12.03 Ų, (3-Chlorobenzyl)isobutylamine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (3-Chlorobenzyl)isobutylamine has 1 hydrogen bond donor(s) and 1 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 (3-Chlorobenzyl)isobutylamine?
The CAS number of (3-Chlorobenzyl)isobutylamine is 893589-64-5.
What is the molecular formula of (3-Chlorobenzyl)isobutylamine?
The molecular formula of (3-Chlorobenzyl)isobutylamine is C11H16ClN.
What is the molecular weight of (3-Chlorobenzyl)isobutylamine?
The molecular weight of (3-Chlorobenzyl)isobutylamine is 197.10 g/mol.
Where can I buy (3-Chlorobenzyl)isobutylamine?
You can request a quote for (3-Chlorobenzyl)isobutylamine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (3-Chlorobenzyl)isobutylamine?
Yes, KEHONG BIO provides custom synthesis services for (3-Chlorobenzyl)isobutylamine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.