N-[[2-(2,4-difluorophenoxy)-4,6-dimethyl-3-pyridinyl]methyl]ethanamine

C16H18F2N2O — CID 62297074

IUPACN-[[2-(2,4-difluorophenoxy)-4,6-dimethyl-3-pyridinyl]methyl]ethanamine
SMILESCCNCc1c(C)cc(C)nc1Oc1ccc(F)cc1F
InChIInChI=1S/C16H18F2N2O/c1-4-19-9-13-10(2)7-11(3)20-16(13)21-15-6-5-12(17)8-14(15)18/h5-8,19H,4,9H2,1-3H3
InChIKeyOQRBVHDRGSPIBC-UHFFFAOYSA-N
MW292.33 g/mol
LogP3.88
Rot. Bonds5

About N-[[2-(2,4-difluorophenoxy)-4,6-dimethyl-3-pyridinyl]methyl]ethanamine

N-[[2-(2,4-difluorophenoxy)-4,6-dimethyl-3-pyridinyl]methyl]ethanamine (PubChem CID 62297074) has the molecular formula C16H18F2N2O and a molecular weight of 292.33 g/mol. Its IUPAC name is N-[[2-(2,4-difluorophenoxy)-4,6-dimethyl-3-pyridinyl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[2-(2,4-difluorophenoxy)-4,6-dimethyl-3-pyridinyl]methyl]ethanamine
PubChem CID62297074
Molecular FormulaC16H18F2N2O
Molecular Weight292.33 g/mol
Exact Mass292.14
IUPAC NameN-[[2-(2,4-difluorophenoxy)-4,6-dimethyl-3-pyridinyl]methyl]ethanamine
SMILESCCNCc1c(C)cc(C)nc1Oc1ccc(F)cc1F
InChIInChI=1S/C16H18F2N2O/c1-4-19-9-13-10(2)7-11(3)20-16(13)21-15-6-5-12(17)8-14(15)18/h5-8,19H,4,9H2,1-3H3
InChIKeyOQRBVHDRGSPIBC-UHFFFAOYSA-N
XLogP3.88
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.33
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[[2-(2,4-difluorophenoxy)-4,6-dimethyl-3-pyridinyl]methyl]ethanamine?
The IUPAC name of N-[[2-(2,4-difluorophenoxy)-4,6-dimethyl-3-pyridinyl]methyl]ethanamine (CID 62297074) is N-[[2-(2,4-difluorophenoxy)-4,6-dimethyl-3-pyridinyl]methyl]ethanamine.
What is the SMILES notation for N-[[2-(2,4-difluorophenoxy)-4,6-dimethyl-3-pyridinyl]methyl]ethanamine?
The canonical SMILES for N-[[2-(2,4-difluorophenoxy)-4,6-dimethyl-3-pyridinyl]methyl]ethanamine is CCNCc1c(C)cc(C)nc1Oc1ccc(F)cc1F.
What is the InChIKey of N-[[2-(2,4-difluorophenoxy)-4,6-dimethyl-3-pyridinyl]methyl]ethanamine?
The InChIKey is OQRBVHDRGSPIBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18F2N2O/c1-4-19-9-13-10(2)7-11(3)20-16(13)21-15-6-5-12(17)8-14(15)18/h5-8,19H,4,9H2,1-3H3.
What are the key properties of N-[[2-(2,4-difluorophenoxy)-4,6-dimethyl-3-pyridinyl]methyl]ethanamine?
N-[[2-(2,4-difluorophenoxy)-4,6-dimethyl-3-pyridinyl]methyl]ethanamine has a molecular weight of 292.33 g/mol, XLogP of 3.88, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(2,4-difluorophenoxy)-4,6-dimethyl-3-pyridinyl]methyl]ethanamine is sourced from PubChem (CID 62297074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).