N-tert-butyl-4-fluoroaniline
TL;DR: N-tert-butyl-4-fluoroaniline (CAS 33486-88-3) is a chemical compound with molecular formula C10H14FN and molecular weight 167.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-tert-butyl-4-fluoroaniline
Also Known As: N-tert-butyl-4-fluoroaniline, N-(tert-butyl)-4-fluoroaniline, 4-Fluoro-N-tert-butylaniline, BENZENAMINE,N-(1,1-DIMETHYLETHYL)-4-FLUORO-, RefChem:364963
| Molecular Formula | C10H14FN |
|---|---|
| Molecular Weight | 167.11 g/mol |
| LogP | 3.0 |
| Topological Polar Surface Area | 12.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 167.11102 |
| Heavy Atoms | 12 |
| Complexity | 131.0 |
Chemical Identifiers
| CAS Number | 33486-88-3 |
|---|---|
| SMILES | CC(C)(C)NC1=CC=C(C=C1)F |
| InChIKey | MZNSNNMEDUMHEM-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
N-tert-butyl-4-fluoroaniline (CAS 33486-88-3), with molecular formula C10H14FN and molecular weight 167.11 g/mol. IUPAC: N-tert-butyl-4-fluoroaniline.
Chemical Property Profile of N-tert-butyl-4-fluoroaniline
Property Insights of N-tert-butyl-4-fluoroaniline
The XLogP value of 3.0 indicates that N-tert-butyl-4-fluoroaniline 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-tert-butyl-4-fluoroaniline exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-tert-butyl-4-fluoroaniline 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-tert-butyl-4-fluoroaniline?
The CAS number of N-tert-butyl-4-fluoroaniline is 33486-88-3.
What is the molecular formula of N-tert-butyl-4-fluoroaniline?
The molecular formula of N-tert-butyl-4-fluoroaniline is C10H14FN.
What is the molecular weight of N-tert-butyl-4-fluoroaniline?
The molecular weight of N-tert-butyl-4-fluoroaniline is 167.11 g/mol.
Where can I buy N-tert-butyl-4-fluoroaniline?
You can request a quote for N-tert-butyl-4-fluoroaniline directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-tert-butyl-4-fluoroaniline?
Yes, KEHONG BIO provides custom synthesis services for N-tert-butyl-4-fluoroaniline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.