2-[[4-(methylamino)-2-pyridinyl]methyl-(2,2,2-trifluoroethyl)amino]ethanol

C11H16F3N3O — CID 107486280

IUPAC2-[[4-(methylamino)-2-pyridinyl]methyl-(2,2,2-trifluoroethyl)amino]ethanol
SMILESCNc1ccnc(CN(CCO)CC(F)(F)F)c1
InChIInChI=1S/C11H16F3N3O/c1-15-9-2-3-16-10(6-9)7-17(4-5-18)8-11(12,13)14/h2-3,6,18H,4-5,7-8H2,1H3,(H,15,16)
InChIKeyQURLQHVPLXCKLO-UHFFFAOYSA-N
MW263.26 g/mol
LogP1.48
Rot. Bonds6

About 2-[[4-(methylamino)-2-pyridinyl]methyl-(2,2,2-trifluoroethyl)amino]ethanol

2-[[4-(methylamino)-2-pyridinyl]methyl-(2,2,2-trifluoroethyl)amino]ethanol (PubChem CID 107486280) has the molecular formula C11H16F3N3O and a molecular weight of 263.26 g/mol. Its IUPAC name is 2-[[4-(methylamino)-2-pyridinyl]methyl-(2,2,2-trifluoroethyl)amino]ethanol.

Molecular Properties

Compound Name2-[[4-(methylamino)-2-pyridinyl]methyl-(2,2,2-trifluoroethyl)amino]ethanol
PubChem CID107486280
Molecular FormulaC11H16F3N3O
Molecular Weight263.26 g/mol
Exact Mass263.12
IUPAC Name2-[[4-(methylamino)-2-pyridinyl]methyl-(2,2,2-trifluoroethyl)amino]ethanol
SMILESCNc1ccnc(CN(CCO)CC(F)(F)F)c1
InChIInChI=1S/C11H16F3N3O/c1-15-9-2-3-16-10(6-9)7-17(4-5-18)8-11(12,13)14/h2-3,6,18H,4-5,7-8H2,1H3,(H,15,16)
InChIKeyQURLQHVPLXCKLO-UHFFFAOYSA-N
XLogP1.48
TPSA48.39 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.26
LogP ≤ 51.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[[4-(methylamino)-2-pyridinyl]methyl-(2,2,2-trifluoroethyl)amino]ethanol?
The IUPAC name of 2-[[4-(methylamino)-2-pyridinyl]methyl-(2,2,2-trifluoroethyl)amino]ethanol (CID 107486280) is 2-[[4-(methylamino)-2-pyridinyl]methyl-(2,2,2-trifluoroethyl)amino]ethanol.
What is the SMILES notation for 2-[[4-(methylamino)-2-pyridinyl]methyl-(2,2,2-trifluoroethyl)amino]ethanol?
The canonical SMILES for 2-[[4-(methylamino)-2-pyridinyl]methyl-(2,2,2-trifluoroethyl)amino]ethanol is CNc1ccnc(CN(CCO)CC(F)(F)F)c1.
What is the InChIKey of 2-[[4-(methylamino)-2-pyridinyl]methyl-(2,2,2-trifluoroethyl)amino]ethanol?
The InChIKey is QURLQHVPLXCKLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16F3N3O/c1-15-9-2-3-16-10(6-9)7-17(4-5-18)8-11(12,13)14/h2-3,6,18H,4-5,7-8H2,1H3,(H,15,16).
What are the key properties of 2-[[4-(methylamino)-2-pyridinyl]methyl-(2,2,2-trifluoroethyl)amino]ethanol?
2-[[4-(methylamino)-2-pyridinyl]methyl-(2,2,2-trifluoroethyl)amino]ethanol has a molecular weight of 263.26 g/mol, XLogP of 1.48, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(methylamino)-2-pyridinyl]methyl-(2,2,2-trifluoroethyl)amino]ethanol is sourced from PubChem (CID 107486280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).