![2-{[(4-Fluorophenyl)amino]methyl}-1-methylindole-3-carbonitrile structure](/static/products/361/361369-53-1.webp)
2-{[(4-Fluorophenyl)amino]methyl}-1-methylindole-3-carbonitrile
TL;DR: 2-{[(4-Fluorophenyl)amino]methyl}-1-methylindole-3-carbonitrile (CAS 361369-53-1) is a chemical compound with molecular formula C17H14FN3 and molecular weight 279.1172 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-[(4-fluoroanilino)methyl]-1-methylindole-3-carbonitrile
Also Known As: BAS 01511048, 2-[(4-fluoroanilino)methyl]-1-methylindole-3-carbonitrile, 2-[(4-fluoroanilino)methyl]-1-methyl-1H-indole-3-carbonitrile, 2-[(4-FLUOROANILINO)METHYL]-1-METHYL-1H-INDOL-3-YL CYANIDE, 2-{[(4-fluorophenyl)amino]methyl}-1-methylindole-3-carbonitrile
Technical Specifications
| Molecular Formula | C17H14FN3 |
| Molecular Weight | 279.1172 g/mol |
| XLogP | 3.3 |
| Topological Polar Surface Area (TPSA) | 40.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 279.1172 Da |
| Heavy Atoms | 21 |
| Complexity | 396.0 |
| SMILES | CN1C2=CC=CC=C2C(=C1CNC3=CC=C(C=C3)F)C#N |
| InChIKey | GAHYRGJJMQPDEI-UHFFFAOYSA-N |
Chemical Property Profile of 2-{[(4-Fluorophenyl)amino]methyl}-1-methylindole-3-carbonitrile
Property Insights of 2-{[(4-Fluorophenyl)amino]methyl}-1-methylindole-3-carbonitrile
The XLogP value of 3.3 indicates that 2-{[(4-Fluorophenyl)amino]methyl}-1-methylindole-3-carbonitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 40.8 Ų, 2-{[(4-Fluorophenyl)amino]methyl}-1-methylindole-3-carbonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-{[(4-Fluorophenyl)amino]methyl}-1-methylindole-3-carbonitrile 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 2-{[(4-Fluorophenyl)amino]methyl}-1-methylindole-3-carbonitrile?
The CAS number of 2-{[(4-Fluorophenyl)amino]methyl}-1-methylindole-3-carbonitrile is 361369-53-1.
What is the molecular formula of 2-{[(4-Fluorophenyl)amino]methyl}-1-methylindole-3-carbonitrile?
The molecular formula of 2-{[(4-Fluorophenyl)amino]methyl}-1-methylindole-3-carbonitrile is C17H14FN3.
What is the molecular weight of 2-{[(4-Fluorophenyl)amino]methyl}-1-methylindole-3-carbonitrile?
The molecular weight of 2-{[(4-Fluorophenyl)amino]methyl}-1-methylindole-3-carbonitrile is 279.1172 g/mol.
Where can I buy 2-{[(4-Fluorophenyl)amino]methyl}-1-methylindole-3-carbonitrile?
You can request a quote for 2-{[(4-Fluorophenyl)amino]methyl}-1-methylindole-3-carbonitrile directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 2-{[(4-Fluorophenyl)amino]methyl}-1-methylindole-3-carbonitrile?
Yes, CoreyChem provides custom synthesis services for 2-{[(4-Fluorophenyl)amino]methyl}-1-methylindole-3-carbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.