2-[[2,2-difluoroethyl(methyl)amino]methyl]-N-ethylpyridin-4-amine

C11H17F2N3 — CID 115883847

IUPAC2-[[2,2-difluoroethyl(methyl)amino]methyl]-N-ethylpyridin-4-amine
SMILESCCNc1ccnc(CN(C)CC(F)F)c1
InChIInChI=1S/C11H17F2N3/c1-3-14-9-4-5-15-10(6-9)7-16(2)8-11(12)13/h4-6,11H,3,7-8H2,1-2H3,(H,14,15)
InChIKeyBDZRYQKCVANIKN-UHFFFAOYSA-N
MW229.27 g/mol
LogP2.21
Rot. Bonds6

About 2-[[2,2-difluoroethyl(methyl)amino]methyl]-N-ethylpyridin-4-amine

2-[[2,2-difluoroethyl(methyl)amino]methyl]-N-ethylpyridin-4-amine (PubChem CID 115883847) has the molecular formula C11H17F2N3 and a molecular weight of 229.27 g/mol. Its IUPAC name is 2-[[2,2-difluoroethyl(methyl)amino]methyl]-N-ethylpyridin-4-amine.

Molecular Properties

Compound Name2-[[2,2-difluoroethyl(methyl)amino]methyl]-N-ethylpyridin-4-amine
PubChem CID115883847
Molecular FormulaC11H17F2N3
Molecular Weight229.27 g/mol
Exact Mass229.14
IUPAC Name2-[[2,2-difluoroethyl(methyl)amino]methyl]-N-ethylpyridin-4-amine
SMILESCCNc1ccnc(CN(C)CC(F)F)c1
InChIInChI=1S/C11H17F2N3/c1-3-14-9-4-5-15-10(6-9)7-16(2)8-11(12)13/h4-6,11H,3,7-8H2,1-2H3,(H,14,15)
InChIKeyBDZRYQKCVANIKN-UHFFFAOYSA-N
XLogP2.21
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.27
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[[2,2-difluoroethyl(methyl)amino]methyl]-N-ethylpyridin-4-amine?
The IUPAC name of 2-[[2,2-difluoroethyl(methyl)amino]methyl]-N-ethylpyridin-4-amine (CID 115883847) is 2-[[2,2-difluoroethyl(methyl)amino]methyl]-N-ethylpyridin-4-amine.
What is the SMILES notation for 2-[[2,2-difluoroethyl(methyl)amino]methyl]-N-ethylpyridin-4-amine?
The canonical SMILES for 2-[[2,2-difluoroethyl(methyl)amino]methyl]-N-ethylpyridin-4-amine is CCNc1ccnc(CN(C)CC(F)F)c1.
What is the InChIKey of 2-[[2,2-difluoroethyl(methyl)amino]methyl]-N-ethylpyridin-4-amine?
The InChIKey is BDZRYQKCVANIKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17F2N3/c1-3-14-9-4-5-15-10(6-9)7-16(2)8-11(12)13/h4-6,11H,3,7-8H2,1-2H3,(H,14,15).
What are the key properties of 2-[[2,2-difluoroethyl(methyl)amino]methyl]-N-ethylpyridin-4-amine?
2-[[2,2-difluoroethyl(methyl)amino]methyl]-N-ethylpyridin-4-amine has a molecular weight of 229.27 g/mol, XLogP of 2.21, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2,2-difluoroethyl(methyl)amino]methyl]-N-ethylpyridin-4-amine is sourced from PubChem (CID 115883847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).