2-[[3-(aminomethyl)-2,6-dimethyl-4-pyridinyl]-(2,2,2-trifluoroethyl)amino]ethanol

C12H18F3N3O — CID 107478464

IUPAC2-[[3-(aminomethyl)-2,6-dimethyl-4-pyridinyl]-(2,2,2-trifluoroethyl)amino]ethanol
SMILESCc1cc(N(CCO)CC(F)(F)F)c(CN)c(C)n1
InChIInChI=1S/C12H18F3N3O/c1-8-5-11(10(6-16)9(2)17-8)18(3-4-19)7-12(13,14)15/h5,19H,3-4,6-7,16H2,1-2H3
InChIKeyNHULORKMDGSDMJ-UHFFFAOYSA-N
MW277.29 g/mol
LogP1.52
Rot. Bonds5

About 2-[[3-(aminomethyl)-2,6-dimethyl-4-pyridinyl]-(2,2,2-trifluoroethyl)amino]ethanol

2-[[3-(aminomethyl)-2,6-dimethyl-4-pyridinyl]-(2,2,2-trifluoroethyl)amino]ethanol (PubChem CID 107478464) has the molecular formula C12H18F3N3O and a molecular weight of 277.29 g/mol. Its IUPAC name is 2-[[3-(aminomethyl)-2,6-dimethyl-4-pyridinyl]-(2,2,2-trifluoroethyl)amino]ethanol.

Molecular Properties

Compound Name2-[[3-(aminomethyl)-2,6-dimethyl-4-pyridinyl]-(2,2,2-trifluoroethyl)amino]ethanol
PubChem CID107478464
Molecular FormulaC12H18F3N3O
Molecular Weight277.29 g/mol
Exact Mass277.14
IUPAC Name2-[[3-(aminomethyl)-2,6-dimethyl-4-pyridinyl]-(2,2,2-trifluoroethyl)amino]ethanol
SMILESCc1cc(N(CCO)CC(F)(F)F)c(CN)c(C)n1
InChIInChI=1S/C12H18F3N3O/c1-8-5-11(10(6-16)9(2)17-8)18(3-4-19)7-12(13,14)15/h5,19H,3-4,6-7,16H2,1-2H3
InChIKeyNHULORKMDGSDMJ-UHFFFAOYSA-N
XLogP1.52
TPSA62.38 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.29
LogP ≤ 51.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[[3-(aminomethyl)-2,6-dimethyl-4-pyridinyl]-(2,2,2-trifluoroethyl)amino]ethanol?
The IUPAC name of 2-[[3-(aminomethyl)-2,6-dimethyl-4-pyridinyl]-(2,2,2-trifluoroethyl)amino]ethanol (CID 107478464) is 2-[[3-(aminomethyl)-2,6-dimethyl-4-pyridinyl]-(2,2,2-trifluoroethyl)amino]ethanol.
What is the SMILES notation for 2-[[3-(aminomethyl)-2,6-dimethyl-4-pyridinyl]-(2,2,2-trifluoroethyl)amino]ethanol?
The canonical SMILES for 2-[[3-(aminomethyl)-2,6-dimethyl-4-pyridinyl]-(2,2,2-trifluoroethyl)amino]ethanol is Cc1cc(N(CCO)CC(F)(F)F)c(CN)c(C)n1.
What is the InChIKey of 2-[[3-(aminomethyl)-2,6-dimethyl-4-pyridinyl]-(2,2,2-trifluoroethyl)amino]ethanol?
The InChIKey is NHULORKMDGSDMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18F3N3O/c1-8-5-11(10(6-16)9(2)17-8)18(3-4-19)7-12(13,14)15/h5,19H,3-4,6-7,16H2,1-2H3.
What are the key properties of 2-[[3-(aminomethyl)-2,6-dimethyl-4-pyridinyl]-(2,2,2-trifluoroethyl)amino]ethanol?
2-[[3-(aminomethyl)-2,6-dimethyl-4-pyridinyl]-(2,2,2-trifluoroethyl)amino]ethanol has a molecular weight of 277.29 g/mol, XLogP of 1.52, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-(aminomethyl)-2,6-dimethyl-4-pyridinyl]-(2,2,2-trifluoroethyl)amino]ethanol is sourced from PubChem (CID 107478464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).