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

C12H19F2N3O — CID 107478421

IUPAC2-[[3-(aminomethyl)-2,6-dimethyl-4-pyridinyl]-(2,2-difluoroethyl)amino]ethanol
SMILESCc1cc(N(CCO)CC(F)F)c(CN)c(C)n1
InChIInChI=1S/C12H19F2N3O/c1-8-5-11(10(6-15)9(2)16-8)17(3-4-18)7-12(13)14/h5,12,18H,3-4,6-7,15H2,1-2H3
InChIKeyZZYYDGGHTUWSJU-UHFFFAOYSA-N
MW259.30 g/mol
LogP1.22
Rot. Bonds6

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

2-[[3-(aminomethyl)-2,6-dimethyl-4-pyridinyl]-(2,2-difluoroethyl)amino]ethanol (PubChem CID 107478421) has the molecular formula C12H19F2N3O and a molecular weight of 259.30 g/mol. Its IUPAC name is 2-[[3-(aminomethyl)-2,6-dimethyl-4-pyridinyl]-(2,2-difluoroethyl)amino]ethanol.

Molecular Properties

Compound Name2-[[3-(aminomethyl)-2,6-dimethyl-4-pyridinyl]-(2,2-difluoroethyl)amino]ethanol
PubChem CID107478421
Molecular FormulaC12H19F2N3O
Molecular Weight259.30 g/mol
Exact Mass259.15
IUPAC Name2-[[3-(aminomethyl)-2,6-dimethyl-4-pyridinyl]-(2,2-difluoroethyl)amino]ethanol
SMILESCc1cc(N(CCO)CC(F)F)c(CN)c(C)n1
InChIInChI=1S/C12H19F2N3O/c1-8-5-11(10(6-15)9(2)16-8)17(3-4-18)7-12(13)14/h5,12,18H,3-4,6-7,15H2,1-2H3
InChIKeyZZYYDGGHTUWSJU-UHFFFAOYSA-N
XLogP1.22
TPSA62.38 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.30
LogP ≤ 51.22
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-difluoroethyl)amino]ethanol?
The IUPAC name of 2-[[3-(aminomethyl)-2,6-dimethyl-4-pyridinyl]-(2,2-difluoroethyl)amino]ethanol (CID 107478421) is 2-[[3-(aminomethyl)-2,6-dimethyl-4-pyridinyl]-(2,2-difluoroethyl)amino]ethanol.
What is the SMILES notation for 2-[[3-(aminomethyl)-2,6-dimethyl-4-pyridinyl]-(2,2-difluoroethyl)amino]ethanol?
The canonical SMILES for 2-[[3-(aminomethyl)-2,6-dimethyl-4-pyridinyl]-(2,2-difluoroethyl)amino]ethanol is Cc1cc(N(CCO)CC(F)F)c(CN)c(C)n1.
What is the InChIKey of 2-[[3-(aminomethyl)-2,6-dimethyl-4-pyridinyl]-(2,2-difluoroethyl)amino]ethanol?
The InChIKey is ZZYYDGGHTUWSJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19F2N3O/c1-8-5-11(10(6-15)9(2)16-8)17(3-4-18)7-12(13)14/h5,12,18H,3-4,6-7,15H2,1-2H3.
What are the key properties of 2-[[3-(aminomethyl)-2,6-dimethyl-4-pyridinyl]-(2,2-difluoroethyl)amino]ethanol?
2-[[3-(aminomethyl)-2,6-dimethyl-4-pyridinyl]-(2,2-difluoroethyl)amino]ethanol has a molecular weight of 259.30 g/mol, XLogP of 1.22, 6 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-difluoroethyl)amino]ethanol is sourced from PubChem (CID 107478421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).