4-bromo-N-(4-methylbenzyl)aniline
TL;DR: 4-bromo-N-(4-methylbenzyl)aniline (CAS 195968-90-2) is a chemical compound with molecular formula C14H14BrN and molecular weight 275.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-bromo-N-[(4-methylphenyl)methyl]aniline
Also Known As: 4-bromo-N-(4-methylbenzyl)aniline, N-(4-Methylbenzyl)-4-bromoaniline, 4-bromo-N-[(4-methylphenyl)methyl]aniline, NCI60_001167, Benzenemethanamine, N-(4-bromophenyl)-4-methyl-
| Molecular Formula | C14H14BrN |
|---|---|
| Molecular Weight | 275.03 g/mol |
| LogP | 4.5 |
| Topological Polar Surface Area | 12.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 3 |
| Exact Mass | 275.03094 |
| Heavy Atoms | 16 |
| Complexity | 191.0 |
Chemical Identifiers
| CAS Number | 195968-90-2 |
|---|---|
| SMILES | CC1=CC=C(C=C1)CNC2=CC=C(C=C2)Br |
| InChIKey | WJKFEXKYOWOJPT-UHFFFAOYSA-N |
Product Overview
4-bromo-N-(4-methylbenzyl)aniline (CAS 195968-90-2), with molecular formula C14H14BrN and molecular weight 275.03 g/mol. IUPAC: 4-bromo-N-[(4-methylphenyl)methyl]aniline.
Chemical Property Profile of 4-bromo-N-(4-methylbenzyl)aniline
Property Insights of 4-bromo-N-(4-methylbenzyl)aniline
The XLogP value of 4.5 indicates that 4-bromo-N-(4-methylbenzyl)aniline is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 12.0 Ų, 4-bromo-N-(4-methylbenzyl)aniline exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-bromo-N-(4-methylbenzyl)aniline 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 4-bromo-N-(4-methylbenzyl)aniline?
The CAS number of 4-bromo-N-(4-methylbenzyl)aniline is 195968-90-2.
What is the molecular formula of 4-bromo-N-(4-methylbenzyl)aniline?
The molecular formula of 4-bromo-N-(4-methylbenzyl)aniline is C14H14BrN.
What is the molecular weight of 4-bromo-N-(4-methylbenzyl)aniline?
The molecular weight of 4-bromo-N-(4-methylbenzyl)aniline is 275.03 g/mol.
Where can I buy 4-bromo-N-(4-methylbenzyl)aniline?
You can request a quote for 4-bromo-N-(4-methylbenzyl)aniline directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-bromo-N-(4-methylbenzyl)aniline?
Yes, KEHONG BIO provides custom synthesis services for 4-bromo-N-(4-methylbenzyl)aniline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.