Benzenamine, 4-fluoro-N-(1-methylethyl)-
TL;DR: Benzenamine, 4-fluoro-N-(1-methylethyl)- (CAS 70441-63-3) is a chemical compound with molecular formula C9H12FN and molecular weight 153.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-fluoro-N-propan-2-ylaniline
Also Known As: 4-FLUORO-N-ISOPROPYLANILINE, FI-anilin, 4-fluoro-N-propan-2-ylaniline, N-Isopropyl-4-fluoroaniline, 4-fluoro-N-(propan-2-yl)aniline
| Molecular Formula | C9H12FN |
|---|---|
| Molecular Weight | 153.10 g/mol |
| LogP | 2.8 |
| Topological Polar Surface Area | 12.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 153.09538 |
| Heavy Atoms | 11 |
| Complexity | 106.0 |
Chemical Identifiers
| CAS Number | 70441-63-3 |
|---|---|
| SMILES | CC(C)NC1=CC=C(C=C1)F |
| InChIKey | RMXBOQCXULAXBO-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Benzenamine, 4-fluoro-N-(1-methylethyl)- (CAS 70441-63-3), with molecular formula C9H12FN and molecular weight 153.10 g/mol. IUPAC: 4-fluoro-N-propan-2-ylaniline.
Chemical Property Profile of Benzenamine, 4-fluoro-N-(1-methylethyl)-
Property Insights of Benzenamine, 4-fluoro-N-(1-methylethyl)-
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Benzenamine, 4-fluoro-N-(1-methylethyl)-. With a topological polar surface area (TPSA) of 12.0 Ų, Benzenamine, 4-fluoro-N-(1-methylethyl)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzenamine, 4-fluoro-N-(1-methylethyl)- 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 Benzenamine, 4-fluoro-N-(1-methylethyl)-?
The CAS number of Benzenamine, 4-fluoro-N-(1-methylethyl)- is 70441-63-3.
What is the molecular formula of Benzenamine, 4-fluoro-N-(1-methylethyl)-?
The molecular formula of Benzenamine, 4-fluoro-N-(1-methylethyl)- is C9H12FN.
What is the molecular weight of Benzenamine, 4-fluoro-N-(1-methylethyl)-?
The molecular weight of Benzenamine, 4-fluoro-N-(1-methylethyl)- is 153.10 g/mol.
Where can I buy Benzenamine, 4-fluoro-N-(1-methylethyl)-?
You can request a quote for Benzenamine, 4-fluoro-N-(1-methylethyl)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzenamine, 4-fluoro-N-(1-methylethyl)-?
Yes, KEHONG BIO provides custom synthesis services for Benzenamine, 4-fluoro-N-(1-methylethyl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.