2-[[2-(2-methoxy-5-propan-2-ylphenyl)-5-(trifluoromethyl)phenyl]methylamino]-1-pyridin-2-ylethanol

C25H27F3N2O2 — CID 66716572

IUPAC2-[[2-(2-methoxy-5-propan-2-ylphenyl)-5-(trifluoromethyl)phenyl]methylamino]-1-pyridin-2-ylethanol
SMILESCOc1ccc(C(C)C)cc1-c1ccc(C(F)(F)F)cc1CNCC(O)c1ccccn1
InChIInChI=1S/C25H27F3N2O2/c1-16(2)17-7-10-24(32-3)21(13-17)20-9-8-19(25(26,27)28)12-18(20)14-29-15-23(31)22-6-4-5-11-30-22/h4-13,16,23,29,31H,14-15H2,1-3H3
InChIKeyUWFWCCQGMOJCGB-UHFFFAOYSA-N
MW444.50 g/mol
LogP5.72
Rot. Bonds8

About 2-[[2-(2-methoxy-5-propan-2-ylphenyl)-5-(trifluoromethyl)phenyl]methylamino]-1-pyridin-2-ylethanol

2-[[2-(2-methoxy-5-propan-2-ylphenyl)-5-(trifluoromethyl)phenyl]methylamino]-1-pyridin-2-ylethanol (PubChem CID 66716572) has the molecular formula C25H27F3N2O2 and a molecular weight of 444.50 g/mol. Its IUPAC name is 2-[[2-(2-methoxy-5-propan-2-ylphenyl)-5-(trifluoromethyl)phenyl]methylamino]-1-pyridin-2-ylethanol.

Molecular Properties

Compound Name2-[[2-(2-methoxy-5-propan-2-ylphenyl)-5-(trifluoromethyl)phenyl]methylamino]-1-pyridin-2-ylethanol
PubChem CID66716572
Molecular FormulaC25H27F3N2O2
Molecular Weight444.50 g/mol
Exact Mass444.20
IUPAC Name2-[[2-(2-methoxy-5-propan-2-ylphenyl)-5-(trifluoromethyl)phenyl]methylamino]-1-pyridin-2-ylethanol
SMILESCOc1ccc(C(C)C)cc1-c1ccc(C(F)(F)F)cc1CNCC(O)c1ccccn1
InChIInChI=1S/C25H27F3N2O2/c1-16(2)17-7-10-24(32-3)21(13-17)20-9-8-19(25(26,27)28)12-18(20)14-29-15-23(31)22-6-4-5-11-30-22/h4-13,16,23,29,31H,14-15H2,1-3H3
InChIKeyUWFWCCQGMOJCGB-UHFFFAOYSA-N
XLogP5.72
TPSA54.38 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500444.50
LogP ≤ 55.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[[2-(2-methoxy-5-propan-2-ylphenyl)-5-(trifluoromethyl)phenyl]methylamino]-1-pyridin-2-ylethanol?
The IUPAC name of 2-[[2-(2-methoxy-5-propan-2-ylphenyl)-5-(trifluoromethyl)phenyl]methylamino]-1-pyridin-2-ylethanol (CID 66716572) is 2-[[2-(2-methoxy-5-propan-2-ylphenyl)-5-(trifluoromethyl)phenyl]methylamino]-1-pyridin-2-ylethanol.
What is the SMILES notation for 2-[[2-(2-methoxy-5-propan-2-ylphenyl)-5-(trifluoromethyl)phenyl]methylamino]-1-pyridin-2-ylethanol?
The canonical SMILES for 2-[[2-(2-methoxy-5-propan-2-ylphenyl)-5-(trifluoromethyl)phenyl]methylamino]-1-pyridin-2-ylethanol is COc1ccc(C(C)C)cc1-c1ccc(C(F)(F)F)cc1CNCC(O)c1ccccn1.
What is the InChIKey of 2-[[2-(2-methoxy-5-propan-2-ylphenyl)-5-(trifluoromethyl)phenyl]methylamino]-1-pyridin-2-ylethanol?
The InChIKey is UWFWCCQGMOJCGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27F3N2O2/c1-16(2)17-7-10-24(32-3)21(13-17)20-9-8-19(25(26,27)28)12-18(20)14-29-15-23(31)22-6-4-5-11-30-22/h4-13,16,23,29,31H,14-15H2,1-3H3.
What are the key properties of 2-[[2-(2-methoxy-5-propan-2-ylphenyl)-5-(trifluoromethyl)phenyl]methylamino]-1-pyridin-2-ylethanol?
2-[[2-(2-methoxy-5-propan-2-ylphenyl)-5-(trifluoromethyl)phenyl]methylamino]-1-pyridin-2-ylethanol has a molecular weight of 444.50 g/mol, XLogP of 5.72, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(2-methoxy-5-propan-2-ylphenyl)-5-(trifluoromethyl)phenyl]methylamino]-1-pyridin-2-ylethanol is sourced from PubChem (CID 66716572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).