N-ethyl-N-[[3-fluoro-4-(2-piperidin-1-ylethoxy)phenyl]methyl]-2-(6-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)-5-(trifluoromethyl)aniline

C34H40F4N2O2 — CID 66626062

About N-ethyl-N-[[3-fluoro-4-(2-piperidin-1-ylethoxy)phenyl]methyl]-2-(6-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)-5-(trifluoromethyl)aniline

N-ethyl-N-[[3-fluoro-4-(2-piperidin-1-ylethoxy)phenyl]methyl]-2-(6-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)-5-(trifluoromethyl)aniline (PubChem CID 66626062) has the molecular formula C34H40F4N2O2 and a molecular weight of 584.70 g/mol. Its IUPAC name is N-ethyl-N-[[3-fluoro-4-(2-piperidin-1-ylethoxy)phenyl]methyl]-2-(6-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)-5-(trifluoromethyl)aniline.

Molecular Properties

• Compound Name: N-ethyl-N-[[3-fluoro-4-(2-piperidin-1-ylethoxy)phenyl]methyl]-2-(6-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)-5-(trifluoromethyl)aniline
• PubChem CID: 66626062
• Molecular Formula: C34H40F4N2O2
• Molecular Weight: 584.70 g/mol
• Exact Mass: 584.30
• IUPAC Name: N-ethyl-N-[[3-fluoro-4-(2-piperidin-1-ylethoxy)phenyl]methyl]-2-(6-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)-5-(trifluoromethyl)aniline
• SMILES: CCN(Cc1ccc(OCCN2CCCCC2)c(F)c1)c1cc(C(F)(F)F)ccc1C1CCc2cc(OC)ccc2C1
• InChI: InChI=1S/C34H40F4N2O2/c1-3-40(23-24-7-14-33(31(35)19-24)42-18-17-39-15-5-4-6-16-39)32-22-28(34(36,37)38)11-13-30(32)27-9-8-26-21-29(41-2)12-10-25(26)20-27/h7,10-14,19,21-22,27H,3-6,8-9,15-18,20,23H2,1-2H3
• InChIKey: YOZUITCLYUXKPW-UHFFFAOYSA-N
• XLogP: 8.02
• TPSA: 24.94 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 10
• Heavy Atoms: 42
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	584.70
LogP ≤ 5	8.02
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-[[3-fluoro-4-(2-piperidin-1-ylethoxy)phenyl]methyl]-2-(6-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)-5-(trifluoromethyl)aniline?

The IUPAC name of N-ethyl-N-[[3-fluoro-4-(2-piperidin-1-ylethoxy)phenyl]methyl]-2-(6-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)-5-(trifluoromethyl)aniline (CID 66626062) is N-ethyl-N-[[3-fluoro-4-(2-piperidin-1-ylethoxy)phenyl]methyl]-2-(6-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)-5-(trifluoromethyl)aniline.

What is the SMILES notation for N-ethyl-N-[[3-fluoro-4-(2-piperidin-1-ylethoxy)phenyl]methyl]-2-(6-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)-5-(trifluoromethyl)aniline?

The canonical SMILES for N-ethyl-N-[[3-fluoro-4-(2-piperidin-1-ylethoxy)phenyl]methyl]-2-(6-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)-5-(trifluoromethyl)aniline is CCN(Cc1ccc(OCCN2CCCCC2)c(F)c1)c1cc(C(F)(F)F)ccc1C1CCc2cc(OC)ccc2C1.

What is the InChIKey of N-ethyl-N-[[3-fluoro-4-(2-piperidin-1-ylethoxy)phenyl]methyl]-2-(6-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)-5-(trifluoromethyl)aniline?

The InChIKey is YOZUITCLYUXKPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H40F4N2O2/c1-3-40(23-24-7-14-33(31(35)19-24)42-18-17-39-15-5-4-6-16-39)32-22-28(34(36,37)38)11-13-30(32)27-9-8-26-21-29(41-2)12-10-25(26)20-27/h7,10-14,19,21-22,27H,3-6,8-9,15-18,20,23H2,1-2H3.

What are the key properties of N-ethyl-N-[[3-fluoro-4-(2-piperidin-1-ylethoxy)phenyl]methyl]-2-(6-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)-5-(trifluoromethyl)aniline?

N-ethyl-N-[[3-fluoro-4-(2-piperidin-1-ylethoxy)phenyl]methyl]-2-(6-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)-5-(trifluoromethyl)aniline has a molecular weight of 584.70 g/mol, XLogP of 8.02, 10 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-ethyl-N-[[3-fluoro-4-(2-piperidin-1-ylethoxy)phenyl]methyl]-2-(6-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)-5-(trifluoromethyl)aniline is sourced from PubChem (CID 66626062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).