2-[6-[tert-butyl(dimethyl)silyl]oxy-1,2,3,4-tetrahydronaphthalen-2-yl]-N-[[3-fluoro-4-(2-piperidin-1-ylethoxy)phenyl]methyl]-5-methoxyaniline

C37H51FN2O3Si — CID 66626407

About 2-[6-[tert-butyl(dimethyl)silyl]oxy-1,2,3,4-tetrahydronaphthalen-2-yl]-N-[[3-fluoro-4-(2-piperidin-1-ylethoxy)phenyl]methyl]-5-methoxyaniline

2-[6-[tert-butyl(dimethyl)silyl]oxy-1,2,3,4-tetrahydronaphthalen-2-yl]-N-[[3-fluoro-4-(2-piperidin-1-ylethoxy)phenyl]methyl]-5-methoxyaniline (PubChem CID 66626407) has the molecular formula C37H51FN2O3Si and a molecular weight of 618.91 g/mol. Its IUPAC name is 2-[6-[tert-butyl(dimethyl)silyl]oxy-1,2,3,4-tetrahydronaphthalen-2-yl]-N-[[3-fluoro-4-(2-piperidin-1-ylethoxy)phenyl]methyl]-5-methoxyaniline.

Molecular Properties

• Compound Name: 2-[6-[tert-butyl(dimethyl)silyl]oxy-1,2,3,4-tetrahydronaphthalen-2-yl]-N-[[3-fluoro-4-(2-piperidin-1-ylethoxy)phenyl]methyl]-5-methoxyaniline
• PubChem CID: 66626407
• Molecular Formula: C37H51FN2O3Si
• Molecular Weight: 618.91 g/mol
• Exact Mass: 618.37
• IUPAC Name: 2-[6-[tert-butyl(dimethyl)silyl]oxy-1,2,3,4-tetrahydronaphthalen-2-yl]-N-[[3-fluoro-4-(2-piperidin-1-ylethoxy)phenyl]methyl]-5-methoxyaniline
• SMILES: COc1ccc(C2CCc3cc(O[Si](C)(C)C(C)(C)C)ccc3C2)c(NCc2ccc(OCCN3CCCCC3)c(F)c2)c1
• InChI: InChI=1S/C37H51FN2O3Si/c1-37(2,3)44(5,6)43-32-14-13-28-23-30(12-11-29(28)24-32)33-16-15-31(41-4)25-35(33)39-26-27-10-17-36(34(38)22-27)42-21-20-40-18-8-7-9-19-40/h10,13-17,22,24-25,30,39H,7-9,11-12,18-21,23,26H2,1-6H3
• InChIKey: LNOIKWUMFINJQW-UHFFFAOYSA-N
• XLogP: 8.97
• TPSA: 42.96 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 11
• Heavy Atoms: 44
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	618.91
LogP ≤ 5	8.97
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-[6-[tert-butyl(dimethyl)silyl]oxy-1,2,3,4-tetrahydronaphthalen-2-yl]-N-[[3-fluoro-4-(2-piperidin-1-ylethoxy)phenyl]methyl]-5-methoxyaniline?

The IUPAC name of 2-[6-[tert-butyl(dimethyl)silyl]oxy-1,2,3,4-tetrahydronaphthalen-2-yl]-N-[[3-fluoro-4-(2-piperidin-1-ylethoxy)phenyl]methyl]-5-methoxyaniline (CID 66626407) is 2-[6-[tert-butyl(dimethyl)silyl]oxy-1,2,3,4-tetrahydronaphthalen-2-yl]-N-[[3-fluoro-4-(2-piperidin-1-ylethoxy)phenyl]methyl]-5-methoxyaniline.

What is the SMILES notation for 2-[6-[tert-butyl(dimethyl)silyl]oxy-1,2,3,4-tetrahydronaphthalen-2-yl]-N-[[3-fluoro-4-(2-piperidin-1-ylethoxy)phenyl]methyl]-5-methoxyaniline?

The canonical SMILES for 2-[6-[tert-butyl(dimethyl)silyl]oxy-1,2,3,4-tetrahydronaphthalen-2-yl]-N-[[3-fluoro-4-(2-piperidin-1-ylethoxy)phenyl]methyl]-5-methoxyaniline is COc1ccc(C2CCc3cc(O[Si](C)(C)C(C)(C)C)ccc3C2)c(NCc2ccc(OCCN3CCCCC3)c(F)c2)c1.

What is the InChIKey of 2-[6-[tert-butyl(dimethyl)silyl]oxy-1,2,3,4-tetrahydronaphthalen-2-yl]-N-[[3-fluoro-4-(2-piperidin-1-ylethoxy)phenyl]methyl]-5-methoxyaniline?

The InChIKey is LNOIKWUMFINJQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H51FN2O3Si/c1-37(2,3)44(5,6)43-32-14-13-28-23-30(12-11-29(28)24-32)33-16-15-31(41-4)25-35(33)39-26-27-10-17-36(34(38)22-27)42-21-20-40-18-8-7-9-19-40/h10,13-17,22,24-25,30,39H,7-9,11-12,18-21,23,26H2,1-6H3.

What are the key properties of 2-[6-[tert-butyl(dimethyl)silyl]oxy-1,2,3,4-tetrahydronaphthalen-2-yl]-N-[[3-fluoro-4-(2-piperidin-1-ylethoxy)phenyl]methyl]-5-methoxyaniline?

2-[6-[tert-butyl(dimethyl)silyl]oxy-1,2,3,4-tetrahydronaphthalen-2-yl]-N-[[3-fluoro-4-(2-piperidin-1-ylethoxy)phenyl]methyl]-5-methoxyaniline has a molecular weight of 618.91 g/mol, XLogP of 8.97, 11 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[6-[tert-butyl(dimethyl)silyl]oxy-1,2,3,4-tetrahydronaphthalen-2-yl]-N-[[3-fluoro-4-(2-piperidin-1-ylethoxy)phenyl]methyl]-5-methoxyaniline is sourced from PubChem (CID 66626407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).