3-(Phenyl(2-phenylethyl)amino)propiononitrile
TL;DR: 3-(Phenyl(2-phenylethyl)amino)propiononitrile (CAS 17601-74-0) is a chemical compound with molecular formula C17H18N2 and molecular weight 250.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[N-(2-phenylethyl)anilino]propanenitrile
Also Known As: 3-(Phenyl(2-phenylethyl)amino)propiononitrile, 3-[N-(2-phenylethyl)anilino]propanenitrile, 3-[phenyl(2-phenylethyl)amino]propanenitrile, 3-[Phenyl(2-phenylethyl)amino]propiononitrile, 3-(N-phenethylanilino)propanenitrile
| Molecular Formula | C17H18N2 |
|---|---|
| Molecular Weight | 250.15 g/mol |
| LogP | 3.7 |
| Topological Polar Surface Area | 27.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 6 |
| Exact Mass | 250.147 |
| Heavy Atoms | 19 |
| Complexity | 279.0 |
Chemical Identifiers
| CAS Number | 17601-74-0 |
|---|---|
| SMILES | C1=CC=C(C=C1)CCN(CCC#N)C2=CC=CC=C2 |
| InChIKey | ACCLIXSHFMDCLV-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-(Phenyl(2-phenylethyl)amino)propiononitrile (CAS 17601-74-0), with molecular formula C17H18N2 and molecular weight 250.15 g/mol. IUPAC: 3-[N-(2-phenylethyl)anilino]propanenitrile.
Chemical Property Profile of 3-(Phenyl(2-phenylethyl)amino)propiononitrile
Property Insights of 3-(Phenyl(2-phenylethyl)amino)propiononitrile
The XLogP value of 3.7 indicates that 3-(Phenyl(2-phenylethyl)amino)propiononitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 27.0 Ų, 3-(Phenyl(2-phenylethyl)amino)propiononitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(Phenyl(2-phenylethyl)amino)propiononitrile has 0 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 3-(Phenyl(2-phenylethyl)amino)propiononitrile?
The CAS number of 3-(Phenyl(2-phenylethyl)amino)propiononitrile is 17601-74-0.
What is the molecular formula of 3-(Phenyl(2-phenylethyl)amino)propiononitrile?
The molecular formula of 3-(Phenyl(2-phenylethyl)amino)propiononitrile is C17H18N2.
What is the molecular weight of 3-(Phenyl(2-phenylethyl)amino)propiononitrile?
The molecular weight of 3-(Phenyl(2-phenylethyl)amino)propiononitrile is 250.15 g/mol.
Where can I buy 3-(Phenyl(2-phenylethyl)amino)propiononitrile?
You can request a quote for 3-(Phenyl(2-phenylethyl)amino)propiononitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(Phenyl(2-phenylethyl)amino)propiononitrile?
Yes, KEHONG BIO provides custom synthesis services for 3-(Phenyl(2-phenylethyl)amino)propiononitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.