4-Methoxy-alpha-((4-methylphenyl)amino)benzeneacetonitrile
TL;DR: 4-Methoxy-alpha-((4-methylphenyl)amino)benzeneacetonitrile (CAS 15190-01-9) is a chemical compound with molecular formula C16H16N2O and molecular weight 252.12627 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-(4-methoxyphenyl)-2-(4-methylanilino)acetonitrile
Also Known As: (4-methoxyphenyl)(4-toluidino)acetonitrile, (4-Methoxy-phenyl)-p-tolylamino-acetonitrile, J1.092.986E, (4-Methoxyphenyl)(4-methylanilino)acetonitrile, 2-(4-methoxyphenyl)-2-(4-methylanilino)acetonitrile
Technical Specifications
| Molecular Formula | C16H16N2O |
| Molecular Weight | 252.12627 g/mol |
| XLogP | 3.7 |
| Topological Polar Surface Area (TPSA) | 45.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 252.12627 Da |
| Heavy Atoms | 19 |
| Complexity | 306.0 |
| SMILES | CC1=CC=C(C=C1)NC(C#N)C2=CC=C(C=C2)OC |
| InChIKey | RTZULXZRSHQWHD-UHFFFAOYSA-N |
Chemical Property Profile of 4-Methoxy-alpha-((4-methylphenyl)amino)benzeneacetonitrile
Property Insights of 4-Methoxy-alpha-((4-methylphenyl)amino)benzeneacetonitrile
The XLogP value of 3.7 indicates that 4-Methoxy-alpha-((4-methylphenyl)amino)benzeneacetonitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 45.1 Ų, 4-Methoxy-alpha-((4-methylphenyl)amino)benzeneacetonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Methoxy-alpha-((4-methylphenyl)amino)benzeneacetonitrile has 1 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 4-Methoxy-alpha-((4-methylphenyl)amino)benzeneacetonitrile?
The CAS number of 4-Methoxy-alpha-((4-methylphenyl)amino)benzeneacetonitrile is 15190-01-9.
What is the molecular formula of 4-Methoxy-alpha-((4-methylphenyl)amino)benzeneacetonitrile?
The molecular formula of 4-Methoxy-alpha-((4-methylphenyl)amino)benzeneacetonitrile is C16H16N2O.
What is the molecular weight of 4-Methoxy-alpha-((4-methylphenyl)amino)benzeneacetonitrile?
The molecular weight of 4-Methoxy-alpha-((4-methylphenyl)amino)benzeneacetonitrile is 252.12627 g/mol.
Where can I buy 4-Methoxy-alpha-((4-methylphenyl)amino)benzeneacetonitrile?
You can request a quote for 4-Methoxy-alpha-((4-methylphenyl)amino)benzeneacetonitrile directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 4-Methoxy-alpha-((4-methylphenyl)amino)benzeneacetonitrile?
Yes, CoreyChem provides custom synthesis services for 4-Methoxy-alpha-((4-methylphenyl)amino)benzeneacetonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.