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

C28H32F3NO2 — CID 71194922

IUPAC(2R)-1-[cyclopropyl-[4-(trifluoromethyl)phenyl]methoxy]-3-[(2-methyl-1-naphthalen-2-ylpropan-2-yl)amino]propan-2-ol
SMILESCC(C)(Cc1ccc2ccccc2c1)NC[C@@H](O)COC(c1ccc(C(F)(F)F)cc1)C1CC1
InChIInChI=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
InChIKeyUREGGTQQOOZVBB-DCWQJPKNSA-N
MW471.56 g/mol
LogP6.30
Rot. Bonds10

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 CID71194922
Molecular FormulaC28H32F3NO2
Molecular Weight471.56 g/mol
Exact Mass471.24
IUPAC Name(2R)-1-[cyclopropyl-[4-(trifluoromethyl)phenyl]methoxy]-3-[(2-methyl-1-naphthalen-2-ylpropan-2-yl)amino]propan-2-ol
SMILESCC(C)(Cc1ccc2ccccc2c1)NC[C@@H](O)COC(c1ccc(C(F)(F)F)cc1)C1CC1
InChIInChI=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
InChIKeyUREGGTQQOOZVBB-DCWQJPKNSA-N
XLogP6.30
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500471.56
LogP ≤ 56.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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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).