N-benzyl-3-methylbutan-1-amine
TL;DR: N-benzyl-3-methylbutan-1-amine (CAS 4462-17-3) is a chemical compound with molecular formula C12H19N and molecular weight 177.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-benzyl-3-methylbutan-1-amine
Also Known As: N-Benzyl-3-methylbutylamine, N-benzyl-3-methylbutan-1-amine, Benzylisopentylamine, N-i-Amyl-benzylamin, N-(3-Methylbutyl)benzenemethanamine
| Molecular Formula | C12H19N |
|---|---|
| Molecular Weight | 177.15 g/mol |
| LogP | 3.2 |
| Topological Polar Surface Area | 12.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 5 |
| Exact Mass | 177.15175 |
| Heavy Atoms | 13 |
| Complexity | 114.0 |
Chemical Identifiers
| CAS Number | 4462-17-3 |
|---|---|
| SMILES | CC(C)CCNCC1=CC=CC=C1 |
| InChIKey | ADSCFYDXGXZBAN-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
N-benzyl-3-methylbutan-1-amine (CAS 4462-17-3), with molecular formula C12H19N and molecular weight 177.15 g/mol. IUPAC: N-benzyl-3-methylbutan-1-amine.
Chemical Property Profile of N-benzyl-3-methylbutan-1-amine
Property Insights of N-benzyl-3-methylbutan-1-amine
The XLogP value of 3.2 indicates that N-benzyl-3-methylbutan-1-amine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 12.0 Ų, N-benzyl-3-methylbutan-1-amine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-benzyl-3-methylbutan-1-amine 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 N-benzyl-3-methylbutan-1-amine?
The CAS number of N-benzyl-3-methylbutan-1-amine is 4462-17-3.
What is the molecular formula of N-benzyl-3-methylbutan-1-amine?
The molecular formula of N-benzyl-3-methylbutan-1-amine is C12H19N.
What is the molecular weight of N-benzyl-3-methylbutan-1-amine?
The molecular weight of N-benzyl-3-methylbutan-1-amine is 177.15 g/mol.
Where can I buy N-benzyl-3-methylbutan-1-amine?
You can request a quote for N-benzyl-3-methylbutan-1-amine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-benzyl-3-methylbutan-1-amine?
Yes, KEHONG BIO provides custom synthesis services for N-benzyl-3-methylbutan-1-amine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.