2-phenyl-2-[[4-(trifluoromethyl)-2-pyridinyl]amino]ethanol

C14H13F3N2O — CID 66328087

IUPAC2-phenyl-2-[[4-(trifluoromethyl)-2-pyridinyl]amino]ethanol
SMILESOCC(Nc1cc(C(F)(F)F)ccn1)c1ccccc1
InChIInChI=1S/C14H13F3N2O/c15-14(16,17)11-6-7-18-13(8-11)19-12(9-20)10-4-2-1-3-5-10/h1-8,12,20H,9H2,(H,18,19)
InChIKeyPCRXRJKDKIREAH-UHFFFAOYSA-N
MW282.27 g/mol
LogP3.25
Rot. Bonds4

About 2-phenyl-2-[[4-(trifluoromethyl)-2-pyridinyl]amino]ethanol

2-phenyl-2-[[4-(trifluoromethyl)-2-pyridinyl]amino]ethanol (PubChem CID 66328087) has the molecular formula C14H13F3N2O and a molecular weight of 282.27 g/mol. Its IUPAC name is 2-phenyl-2-[[4-(trifluoromethyl)-2-pyridinyl]amino]ethanol.

Molecular Properties

Compound Name2-phenyl-2-[[4-(trifluoromethyl)-2-pyridinyl]amino]ethanol
PubChem CID66328087
Molecular FormulaC14H13F3N2O
Molecular Weight282.27 g/mol
Exact Mass282.10
IUPAC Name2-phenyl-2-[[4-(trifluoromethyl)-2-pyridinyl]amino]ethanol
SMILESOCC(Nc1cc(C(F)(F)F)ccn1)c1ccccc1
InChIInChI=1S/C14H13F3N2O/c15-14(16,17)11-6-7-18-13(8-11)19-12(9-20)10-4-2-1-3-5-10/h1-8,12,20H,9H2,(H,18,19)
InChIKeyPCRXRJKDKIREAH-UHFFFAOYSA-N
XLogP3.25
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.27
LogP ≤ 53.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-phenyl-2-[[4-(trifluoromethyl)-2-pyridinyl]amino]ethanol?
The IUPAC name of 2-phenyl-2-[[4-(trifluoromethyl)-2-pyridinyl]amino]ethanol (CID 66328087) is 2-phenyl-2-[[4-(trifluoromethyl)-2-pyridinyl]amino]ethanol.
What is the SMILES notation for 2-phenyl-2-[[4-(trifluoromethyl)-2-pyridinyl]amino]ethanol?
The canonical SMILES for 2-phenyl-2-[[4-(trifluoromethyl)-2-pyridinyl]amino]ethanol is OCC(Nc1cc(C(F)(F)F)ccn1)c1ccccc1.
What is the InChIKey of 2-phenyl-2-[[4-(trifluoromethyl)-2-pyridinyl]amino]ethanol?
The InChIKey is PCRXRJKDKIREAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13F3N2O/c15-14(16,17)11-6-7-18-13(8-11)19-12(9-20)10-4-2-1-3-5-10/h1-8,12,20H,9H2,(H,18,19).
What are the key properties of 2-phenyl-2-[[4-(trifluoromethyl)-2-pyridinyl]amino]ethanol?
2-phenyl-2-[[4-(trifluoromethyl)-2-pyridinyl]amino]ethanol has a molecular weight of 282.27 g/mol, XLogP of 3.25, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-2-[[4-(trifluoromethyl)-2-pyridinyl]amino]ethanol is sourced from PubChem (CID 66328087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).