(2R)-1-[cyclopropyl-[4-(trifluoromethyl)phenyl]methoxy]-3-[(2-methyl-1-naphthalen-2-ylpropan-2-yl)amino]propan-2-ol

C28H32F3NO2 — CID 71194922

About (2R)-1-[cyclopropyl-[4-(trifluoromethyl)phenyl]methoxy]-3-[(2-methyl-1-naphthalen-2-ylpropan-2-yl)amino]propan-2-ol

(2R)-1-[cyclopropyl-[4-(trifluoromethyl)phenyl]methoxy]-3-[(2-methyl-1-naphthalen-2-ylpropan-2-yl)amino]propan-2-ol (PubChem CID 71194922) has the molecular formula C28H32F3NO2 and a molecular weight of 471.56 g/mol. Its IUPAC name is (2R)-1-[cyclopropyl-[4-(trifluoromethyl)phenyl]methoxy]-3-[(2-methyl-1-naphthalen-2-ylpropan-2-yl)amino]propan-2-ol.

Molecular Properties

• Compound Name: (2R)-1-[cyclopropyl-[4-(trifluoromethyl)phenyl]methoxy]-3-[(2-methyl-1-naphthalen-2-ylpropan-2-yl)amino]propan-2-ol
• PubChem CID: 71194922
• Molecular Formula: C28H32F3NO2
• Molecular Weight: 471.56 g/mol
• Exact Mass: 471.24
• IUPAC Name: (2R)-1-[cyclopropyl-[4-(trifluoromethyl)phenyl]methoxy]-3-[(2-methyl-1-naphthalen-2-ylpropan-2-yl)amino]propan-2-ol
• SMILES: CC(C)(Cc1ccc2ccccc2c1)NC[C@@H](O)COC(c1ccc(C(F)(F)F)cc1)C1CC1
• InChI: InChI=1S/C28H32F3NO2/c1-27(2,16-19-7-8-20-5-3-4-6-23(20)15-19)32-17-25(33)18-34-26(21-9-10-21)22-11-13-24(14-12-22)28(29,30)31/h3-8,11-15,21,25-26,32-33H,9-10,16-18H2,1-2H3/t25-,26?/m1/s1
• InChIKey: UREGGTQQOOZVBB-DCWQJPKNSA-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 (2R)-1-[cyclopropyl-[4-(trifluoromethyl)phenyl]methoxy]-3-[(2-methyl-1-naphthalen-2-ylpropan-2-yl)amino]propan-2-ol?

The IUPAC name of (2R)-1-[cyclopropyl-[4-(trifluoromethyl)phenyl]methoxy]-3-[(2-methyl-1-naphthalen-2-ylpropan-2-yl)amino]propan-2-ol (CID 71194922) is (2R)-1-[cyclopropyl-[4-(trifluoromethyl)phenyl]methoxy]-3-[(2-methyl-1-naphthalen-2-ylpropan-2-yl)amino]propan-2-ol.

What is the SMILES notation for (2R)-1-[cyclopropyl-[4-(trifluoromethyl)phenyl]methoxy]-3-[(2-methyl-1-naphthalen-2-ylpropan-2-yl)amino]propan-2-ol?

The canonical SMILES for (2R)-1-[cyclopropyl-[4-(trifluoromethyl)phenyl]methoxy]-3-[(2-methyl-1-naphthalen-2-ylpropan-2-yl)amino]propan-2-ol is CC(C)(Cc1ccc2ccccc2c1)NC[C@@H](O)COC(c1ccc(C(F)(F)F)cc1)C1CC1.

What is the InChIKey of (2R)-1-[cyclopropyl-[4-(trifluoromethyl)phenyl]methoxy]-3-[(2-methyl-1-naphthalen-2-ylpropan-2-yl)amino]propan-2-ol?

The InChIKey is UREGGTQQOOZVBB-DCWQJPKNSA-N. The full InChI is InChI=1S/C28H32F3NO2/c1-27(2,16-19-7-8-20-5-3-4-6-23(20)15-19)32-17-25(33)18-34-26(21-9-10-21)22-11-13-24(14-12-22)28(29,30)31/h3-8,11-15,21,25-26,32-33H,9-10,16-18H2,1-2H3/t25-,26?/m1/s1.

What are the key properties of (2R)-1-[cyclopropyl-[4-(trifluoromethyl)phenyl]methoxy]-3-[(2-methyl-1-naphthalen-2-ylpropan-2-yl)amino]propan-2-ol?

(2R)-1-[cyclopropyl-[4-(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 (2R)-1-[cyclopropyl-[4-(trifluoromethyl)phenyl]methoxy]-3-[(2-methyl-1-naphthalen-2-ylpropan-2-yl)amino]propan-2-ol is sourced from PubChem (CID 71194922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).