3,3-dimethyl-N-(2-methylphenyl)-4H-isoquinolin-1-amine
TL;DR: 3,3-dimethyl-N-(2-methylphenyl)-4H-isoquinolin-1-amine (CAS 328089-07-2) is a chemical compound with molecular formula C18H20N2 and molecular weight 264.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3,3-dimethyl-N-(2-methylphenyl)-4H-isoquinolin-1-amine
Also Known As: ChemDiv1_020334, 3,3-dimethyl-N-(2-methylphenyl)-4H-isoquinolin-1-amine, BAS 00391886, 1-Isoquinolinamine, 3,4-dihydro-3,3-dimethyl-N-(2-methylphenyl)-, (3,3-Dimethyl-3,4-dihydro-2H-isoquinolin-1-ylidene)-o-tolyl-amine
| Molecular Formula | C18H20N2 |
|---|---|
| Molecular Weight | 264.16 g/mol |
| LogP | 3.7 |
| Topological Polar Surface Area | 24.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 2 |
| Exact Mass | 264.16266 |
| Heavy Atoms | 20 |
| Complexity | 372.0 |
Chemical Identifiers
| CAS Number | 328089-07-2 |
|---|---|
| SMILES | CC1=CC=CC=C1NC2=NC(CC3=CC=CC=C32)(C)C |
| InChIKey | MLKBQZYZOVMPKE-UHFFFAOYSA-N |
Product Overview
3,3-dimethyl-N-(2-methylphenyl)-4H-isoquinolin-1-amine (CAS 328089-07-2), with molecular formula C18H20N2 and molecular weight 264.16 g/mol. IUPAC: 3,3-dimethyl-N-(2-methylphenyl)-4H-isoquinolin-1-amine.
Chemical Property Profile of 3,3-dimethyl-N-(2-methylphenyl)-4H-isoquinolin-1-amine
Property Insights of 3,3-dimethyl-N-(2-methylphenyl)-4H-isoquinolin-1-amine
The XLogP value of 3.7 indicates that 3,3-dimethyl-N-(2-methylphenyl)-4H-isoquinolin-1-amine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 24.4 Ų, 3,3-dimethyl-N-(2-methylphenyl)-4H-isoquinolin-1-amine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3,3-dimethyl-N-(2-methylphenyl)-4H-isoquinolin-1-amine 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 3,3-dimethyl-N-(2-methylphenyl)-4H-isoquinolin-1-amine?
The CAS number of 3,3-dimethyl-N-(2-methylphenyl)-4H-isoquinolin-1-amine is 328089-07-2.
What is the molecular formula of 3,3-dimethyl-N-(2-methylphenyl)-4H-isoquinolin-1-amine?
The molecular formula of 3,3-dimethyl-N-(2-methylphenyl)-4H-isoquinolin-1-amine is C18H20N2.
What is the molecular weight of 3,3-dimethyl-N-(2-methylphenyl)-4H-isoquinolin-1-amine?
The molecular weight of 3,3-dimethyl-N-(2-methylphenyl)-4H-isoquinolin-1-amine is 264.16 g/mol.
Where can I buy 3,3-dimethyl-N-(2-methylphenyl)-4H-isoquinolin-1-amine?
You can request a quote for 3,3-dimethyl-N-(2-methylphenyl)-4H-isoquinolin-1-amine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3,3-dimethyl-N-(2-methylphenyl)-4H-isoquinolin-1-amine?
Yes, KEHONG BIO provides custom synthesis services for 3,3-dimethyl-N-(2-methylphenyl)-4H-isoquinolin-1-amine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.