2-[[6-(aminomethyl)-4-(trifluoromethyl)-2-pyridinyl]-methylamino]ethanol

C10H14F3N3O — CID 168933738

IUPAC2-[[6-(aminomethyl)-4-(trifluoromethyl)-2-pyridinyl]-methylamino]ethanol
SMILESCN(CCO)c1cc(C(F)(F)F)cc(CN)n1
InChIInChI=1S/C10H14F3N3O/c1-16(2-3-17)9-5-7(10(11,12)13)4-8(6-14)15-9/h4-5,17H,2-3,6,14H2,1H3
InChIKeyNWBBYYYIOMHPSJ-UHFFFAOYSA-N
MW249.24 g/mol
LogP0.99
Rot. Bonds4

About 2-[[6-(aminomethyl)-4-(trifluoromethyl)-2-pyridinyl]-methylamino]ethanol

2-[[6-(aminomethyl)-4-(trifluoromethyl)-2-pyridinyl]-methylamino]ethanol (PubChem CID 168933738) has the molecular formula C10H14F3N3O and a molecular weight of 249.24 g/mol. Its IUPAC name is 2-[[6-(aminomethyl)-4-(trifluoromethyl)-2-pyridinyl]-methylamino]ethanol.

Molecular Properties

Compound Name2-[[6-(aminomethyl)-4-(trifluoromethyl)-2-pyridinyl]-methylamino]ethanol
PubChem CID168933738
Molecular FormulaC10H14F3N3O
Molecular Weight249.24 g/mol
Exact Mass249.11
IUPAC Name2-[[6-(aminomethyl)-4-(trifluoromethyl)-2-pyridinyl]-methylamino]ethanol
SMILESCN(CCO)c1cc(C(F)(F)F)cc(CN)n1
InChIInChI=1S/C10H14F3N3O/c1-16(2-3-17)9-5-7(10(11,12)13)4-8(6-14)15-9/h4-5,17H,2-3,6,14H2,1H3
InChIKeyNWBBYYYIOMHPSJ-UHFFFAOYSA-N
XLogP0.99
TPSA62.38 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.24
LogP ≤ 50.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[[6-(aminomethyl)-4-(trifluoromethyl)-2-pyridinyl]-methylamino]ethanol?
The IUPAC name of 2-[[6-(aminomethyl)-4-(trifluoromethyl)-2-pyridinyl]-methylamino]ethanol (CID 168933738) is 2-[[6-(aminomethyl)-4-(trifluoromethyl)-2-pyridinyl]-methylamino]ethanol.
What is the SMILES notation for 2-[[6-(aminomethyl)-4-(trifluoromethyl)-2-pyridinyl]-methylamino]ethanol?
The canonical SMILES for 2-[[6-(aminomethyl)-4-(trifluoromethyl)-2-pyridinyl]-methylamino]ethanol is CN(CCO)c1cc(C(F)(F)F)cc(CN)n1.
What is the InChIKey of 2-[[6-(aminomethyl)-4-(trifluoromethyl)-2-pyridinyl]-methylamino]ethanol?
The InChIKey is NWBBYYYIOMHPSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14F3N3O/c1-16(2-3-17)9-5-7(10(11,12)13)4-8(6-14)15-9/h4-5,17H,2-3,6,14H2,1H3.
What are the key properties of 2-[[6-(aminomethyl)-4-(trifluoromethyl)-2-pyridinyl]-methylamino]ethanol?
2-[[6-(aminomethyl)-4-(trifluoromethyl)-2-pyridinyl]-methylamino]ethanol has a molecular weight of 249.24 g/mol, XLogP of 0.99, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[6-(aminomethyl)-4-(trifluoromethyl)-2-pyridinyl]-methylamino]ethanol is sourced from PubChem (CID 168933738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).