1-phenyl-2-[2-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]ethylamino]ethanol

C15H17F3N4O — CID 2795915

IUPAC1-phenyl-2-[2-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]ethylamino]ethanol
SMILESOC(CNCCNc1nccc(C(F)(F)F)n1)c1ccccc1
InChIInChI=1S/C15H17F3N4O/c16-15(17,18)13-6-7-20-14(22-13)21-9-8-19-10-12(23)11-4-2-1-3-5-11/h1-7,12,19,23H,8-10H2,(H,20,21,22)
InChIKeyZMZZBFJFLKRWMZ-UHFFFAOYSA-N
MW326.32 g/mol
LogP2.23
Rot. Bonds7

About 1-phenyl-2-[2-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]ethylamino]ethanol

1-phenyl-2-[2-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]ethylamino]ethanol (PubChem CID 2795915) has the molecular formula C15H17F3N4O and a molecular weight of 326.32 g/mol. Its IUPAC name is 1-phenyl-2-[2-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]ethylamino]ethanol.

Molecular Properties

Compound Name1-phenyl-2-[2-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]ethylamino]ethanol
PubChem CID2795915
Molecular FormulaC15H17F3N4O
Molecular Weight326.32 g/mol
Exact Mass326.14
IUPAC Name1-phenyl-2-[2-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]ethylamino]ethanol
SMILESOC(CNCCNc1nccc(C(F)(F)F)n1)c1ccccc1
InChIInChI=1S/C15H17F3N4O/c16-15(17,18)13-6-7-20-14(22-13)21-9-8-19-10-12(23)11-4-2-1-3-5-11/h1-7,12,19,23H,8-10H2,(H,20,21,22)
InChIKeyZMZZBFJFLKRWMZ-UHFFFAOYSA-N
XLogP2.23
TPSA70.07 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.32
LogP ≤ 52.23
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-phenyl-2-[2-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]ethylamino]ethanol?
The IUPAC name of 1-phenyl-2-[2-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]ethylamino]ethanol (CID 2795915) is 1-phenyl-2-[2-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]ethylamino]ethanol.
What is the SMILES notation for 1-phenyl-2-[2-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]ethylamino]ethanol?
The canonical SMILES for 1-phenyl-2-[2-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]ethylamino]ethanol is OC(CNCCNc1nccc(C(F)(F)F)n1)c1ccccc1.
What is the InChIKey of 1-phenyl-2-[2-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]ethylamino]ethanol?
The InChIKey is ZMZZBFJFLKRWMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17F3N4O/c16-15(17,18)13-6-7-20-14(22-13)21-9-8-19-10-12(23)11-4-2-1-3-5-11/h1-7,12,19,23H,8-10H2,(H,20,21,22).
What are the key properties of 1-phenyl-2-[2-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]ethylamino]ethanol?
1-phenyl-2-[2-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]ethylamino]ethanol has a molecular weight of 326.32 g/mol, XLogP of 2.23, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-2-[2-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]ethylamino]ethanol is sourced from PubChem (CID 2795915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).