4-(4-Amino-2-methylbenzyl)-3-methylbenzenamine
TL;DR: 4-(4-Amino-2-methylbenzyl)-3-methylbenzenamine (CAS 97-28-9) is a chemical compound with molecular formula C15H18N2 and molecular weight 226.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[(4-amino-2-methylphenyl)methyl]-3-methylaniline
Also Known As: 3,4'-Methylenedianiline, 4- -3-methylbenzenamine, 4,4'-Diaminoditolylmethan, 2,4'-Diaminodiphenylmethane, 4,2'-dimethyldiphenylmethane
| Molecular Formula | C15H18N2 |
|---|---|
| Molecular Weight | 226.15 g/mol |
| LogP | 3.2 |
| Topological Polar Surface Area | 52.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 226.147 |
| Heavy Atoms | 17 |
| Complexity | 217.0 |
Chemical Identifiers
| CAS Number | 97-28-9 |
|---|---|
| SMILES | CC1=C(C=CC(=C1)N)CC2=C(C=C(C=C2)N)C |
| InChIKey | YFKPQCYLWJULME-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 11 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4-(4-Amino-2-methylbenzyl)-3-methylbenzenamine (CAS 97-28-9), with molecular formula C15H18N2 and molecular weight 226.15 g/mol. IUPAC: 4-[(4-amino-2-methylphenyl)methyl]-3-methylaniline.
Chemical Property Profile of 4-(4-Amino-2-methylbenzyl)-3-methylbenzenamine
Property Insights of 4-(4-Amino-2-methylbenzyl)-3-methylbenzenamine
The XLogP value of 3.2 indicates that 4-(4-Amino-2-methylbenzyl)-3-methylbenzenamine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 52.0 Ų, 4-(4-Amino-2-methylbenzyl)-3-methylbenzenamine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-(4-Amino-2-methylbenzyl)-3-methylbenzenamine has 2 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 4-(4-Amino-2-methylbenzyl)-3-methylbenzenamine?
The CAS number of 4-(4-Amino-2-methylbenzyl)-3-methylbenzenamine is 97-28-9.
What is the molecular formula of 4-(4-Amino-2-methylbenzyl)-3-methylbenzenamine?
The molecular formula of 4-(4-Amino-2-methylbenzyl)-3-methylbenzenamine is C15H18N2.
What is the molecular weight of 4-(4-Amino-2-methylbenzyl)-3-methylbenzenamine?
The molecular weight of 4-(4-Amino-2-methylbenzyl)-3-methylbenzenamine is 226.15 g/mol.
Where can I buy 4-(4-Amino-2-methylbenzyl)-3-methylbenzenamine?
You can request a quote for 4-(4-Amino-2-methylbenzyl)-3-methylbenzenamine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-(4-Amino-2-methylbenzyl)-3-methylbenzenamine?
Yes, KEHONG BIO provides custom synthesis services for 4-(4-Amino-2-methylbenzyl)-3-methylbenzenamine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.