N-(4-Isopropylbenzyl)aniline
TL;DR: N-(4-Isopropylbenzyl)aniline (CAS 81308-22-7) is a chemical compound with molecular formula C16H19N and molecular weight 225.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[(4-propan-2-ylphenyl)methyl]aniline
Also Known As: N-(4-ISOPROPYLBENZYL)ANILINE, N-(4-isopropylbenzyl)benzenamine, N-[(4-isopropylphenyl)methyl]aniline, N-[(4-propan-2-ylphenyl)methyl]aniline, 0063AF
| Molecular Formula | C16H19N |
|---|---|
| Molecular Weight | 225.15 g/mol |
| LogP | 4.4221 |
| Topological Polar Surface Area | 12.03 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 4 |
| Exact Mass | 225.15175 |
| Heavy Atoms | 17 |
| Complexity | 442.7112 |
Chemical Identifiers
| CAS Number | 81308-22-7 |
|---|---|
| SMILES | CC(C)C1=CC=C(C=C1)CNC2=CC=CC=C2 |
Product Overview
N-(4-Isopropylbenzyl)aniline (CAS 81308-22-7), with molecular formula C16H19N and molecular weight 225.15 g/mol. IUPAC: N-[(4-propan-2-ylphenyl)methyl]aniline.
Chemical Property Profile of N-(4-Isopropylbenzyl)aniline
Property Insights of N-(4-Isopropylbenzyl)aniline
The XLogP value of 4.4221 indicates that N-(4-Isopropylbenzyl)aniline is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 12.03 Ų, N-(4-Isopropylbenzyl)aniline exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-(4-Isopropylbenzyl)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 N-(4-Isopropylbenzyl)aniline?
The CAS number of N-(4-Isopropylbenzyl)aniline is 81308-22-7.
What is the molecular formula of N-(4-Isopropylbenzyl)aniline?
The molecular formula of N-(4-Isopropylbenzyl)aniline is C16H19N.
What is the molecular weight of N-(4-Isopropylbenzyl)aniline?
The molecular weight of N-(4-Isopropylbenzyl)aniline is 225.15 g/mol.
Where can I buy N-(4-Isopropylbenzyl)aniline?
You can request a quote for N-(4-Isopropylbenzyl)aniline directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-(4-Isopropylbenzyl)aniline?
Yes, KEHONG BIO provides custom synthesis services for N-(4-Isopropylbenzyl)aniline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.