1-[cyclopropyl-[2-(trifluoromethyl)phenyl]methoxy]-3-[(2-methyl-1-naphthalen-2-ylpropan-2-yl)amino]propan-2-ol

C28H32F3NO2 — CID 20812716

About 1-[cyclopropyl-[2-(trifluoromethyl)phenyl]methoxy]-3-[(2-methyl-1-naphthalen-2-ylpropan-2-yl)amino]propan-2-ol

1-[cyclopropyl-[2-(trifluoromethyl)phenyl]methoxy]-3-[(2-methyl-1-naphthalen-2-ylpropan-2-yl)amino]propan-2-ol (PubChem CID 20812716) has the molecular formula C28H32F3NO2 and a molecular weight of 471.56 g/mol. Its IUPAC name is 1-[cyclopropyl-[2-(trifluoromethyl)phenyl]methoxy]-3-[(2-methyl-1-naphthalen-2-ylpropan-2-yl)amino]propan-2-ol.

Molecular Properties

• Compound Name: 1-[cyclopropyl-[2-(trifluoromethyl)phenyl]methoxy]-3-[(2-methyl-1-naphthalen-2-ylpropan-2-yl)amino]propan-2-ol
• PubChem CID: 20812716
• Molecular Formula: C28H32F3NO2
• Molecular Weight: 471.56 g/mol
• Exact Mass: 471.24
• IUPAC Name: 1-[cyclopropyl-[2-(trifluoromethyl)phenyl]methoxy]-3-[(2-methyl-1-naphthalen-2-ylpropan-2-yl)amino]propan-2-ol
• SMILES: CC(C)(Cc1ccc2ccccc2c1)NCC(O)COC(c1ccccc1C(F)(F)F)C1CC1
• InChI: InChI=1S/C28H32F3NO2/c1-27(2,16-19-11-12-20-7-3-4-8-22(20)15-19)32-17-23(33)18-34-26(21-13-14-21)24-9-5-6-10-25(24)28(29,30)31/h3-12,15,21,23,26,32-33H,13-14,16-18H2,1-2H3
• InChIKey: XSGDCZTURXVJTJ-UHFFFAOYSA-N
• XLogP: 6.30
• TPSA: 41.49 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 3
• Rotatable Bonds: 10
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	471.56
LogP ≤ 5	6.30
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of 1-[cyclopropyl-[2-(trifluoromethyl)phenyl]methoxy]-3-[(2-methyl-1-naphthalen-2-ylpropan-2-yl)amino]propan-2-ol?

The IUPAC name of 1-[cyclopropyl-[2-(trifluoromethyl)phenyl]methoxy]-3-[(2-methyl-1-naphthalen-2-ylpropan-2-yl)amino]propan-2-ol (CID 20812716) is 1-[cyclopropyl-[2-(trifluoromethyl)phenyl]methoxy]-3-[(2-methyl-1-naphthalen-2-ylpropan-2-yl)amino]propan-2-ol.

What is the SMILES notation for 1-[cyclopropyl-[2-(trifluoromethyl)phenyl]methoxy]-3-[(2-methyl-1-naphthalen-2-ylpropan-2-yl)amino]propan-2-ol?

The canonical SMILES for 1-[cyclopropyl-[2-(trifluoromethyl)phenyl]methoxy]-3-[(2-methyl-1-naphthalen-2-ylpropan-2-yl)amino]propan-2-ol is CC(C)(Cc1ccc2ccccc2c1)NCC(O)COC(c1ccccc1C(F)(F)F)C1CC1.

What is the InChIKey of 1-[cyclopropyl-[2-(trifluoromethyl)phenyl]methoxy]-3-[(2-methyl-1-naphthalen-2-ylpropan-2-yl)amino]propan-2-ol?

The InChIKey is XSGDCZTURXVJTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H32F3NO2/c1-27(2,16-19-11-12-20-7-3-4-8-22(20)15-19)32-17-23(33)18-34-26(21-13-14-21)24-9-5-6-10-25(24)28(29,30)31/h3-12,15,21,23,26,32-33H,13-14,16-18H2,1-2H3.

What are the key properties of 1-[cyclopropyl-[2-(trifluoromethyl)phenyl]methoxy]-3-[(2-methyl-1-naphthalen-2-ylpropan-2-yl)amino]propan-2-ol?

1-[cyclopropyl-[2-(trifluoromethyl)phenyl]methoxy]-3-[(2-methyl-1-naphthalen-2-ylpropan-2-yl)amino]propan-2-ol has a molecular weight of 471.56 g/mol, XLogP of 6.30, 10 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[cyclopropyl-[2-(trifluoromethyl)phenyl]methoxy]-3-[(2-methyl-1-naphthalen-2-ylpropan-2-yl)amino]propan-2-ol is sourced from PubChem (CID 20812716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).