N-(2-Methylpropyl)benzenamine
TL;DR: N-(2-Methylpropyl)benzenamine (CAS 588-47-6) is a chemical compound with molecular formula CC(C)CNC1=CC=CC=C1 and molecular weight 149.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(2-methylpropyl)aniline
Also Known As: N-(2-methylpropyl)aniline, isobutylaniline, N-ISOBUTYLANILINE, Benzenamine, N-(2-methylpropyl)-, n-isobutyl-aniline
| Molecular Formula | CC(C)CNC1=CC=CC=C1 |
|---|---|
| Molecular Weight | 149.12 g/mol |
| LogP | 3.1 |
| Topological Polar Surface Area | 12.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 3 |
| Exact Mass | 149.12045 |
| Heavy Atoms | 11 |
| Complexity | 93.0 |
Chemical Identifiers
| CAS Number | 588-47-6 |
|---|---|
| SMILES | CC(C)CNC1=CC=CC=C1 |
| InChIKey | GGARKJIWYNVMBF-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 15 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
N-(2-Methylpropyl)benzenamine (CAS 588-47-6), with molecular formula CC(C)CNC1=CC=CC=C1 and molecular weight 149.12 g/mol. IUPAC: N-(2-methylpropyl)aniline.
Chemical Property Profile of N-(2-Methylpropyl)benzenamine
Property Insights of N-(2-Methylpropyl)benzenamine
The XLogP value of 3.1 indicates that N-(2-Methylpropyl)benzenamine 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-(2-Methylpropyl)benzenamine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-(2-Methylpropyl)benzenamine 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-(2-Methylpropyl)benzenamine?
The CAS number of N-(2-Methylpropyl)benzenamine is 588-47-6.
What is the molecular formula of N-(2-Methylpropyl)benzenamine?
The molecular formula of N-(2-Methylpropyl)benzenamine is CC(C)CNC1=CC=CC=C1.
What is the molecular weight of N-(2-Methylpropyl)benzenamine?
The molecular weight of N-(2-Methylpropyl)benzenamine is 149.12 g/mol.
Where can I buy N-(2-Methylpropyl)benzenamine?
You can request a quote for N-(2-Methylpropyl)benzenamine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-(2-Methylpropyl)benzenamine?
Yes, KEHONG BIO provides custom synthesis services for N-(2-Methylpropyl)benzenamine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.