2-[[1-(2,6-difluorophenyl)propan-2-ylamino]methyl]-6-methylpyridin-3-ol

C16H18F2N2O — CID 78928455

IUPAC2-[[1-(2,6-difluorophenyl)propan-2-ylamino]methyl]-6-methylpyridin-3-ol
SMILESCc1ccc(O)c(CNC(C)Cc2c(F)cccc2F)n1
InChIInChI=1S/C16H18F2N2O/c1-10-6-7-16(21)15(20-10)9-19-11(2)8-12-13(17)4-3-5-14(12)18/h3-7,11,19,21H,8-9H2,1-2H3
InChIKeyVJPFWTUWQMAFTQ-UHFFFAOYSA-N
MW292.33 g/mol
LogP3.09
Rot. Bonds5

About 2-[[1-(2,6-difluorophenyl)propan-2-ylamino]methyl]-6-methylpyridin-3-ol

2-[[1-(2,6-difluorophenyl)propan-2-ylamino]methyl]-6-methylpyridin-3-ol (PubChem CID 78928455) has the molecular formula C16H18F2N2O and a molecular weight of 292.33 g/mol. Its IUPAC name is 2-[[1-(2,6-difluorophenyl)propan-2-ylamino]methyl]-6-methylpyridin-3-ol.

Molecular Properties

Compound Name2-[[1-(2,6-difluorophenyl)propan-2-ylamino]methyl]-6-methylpyridin-3-ol
PubChem CID78928455
Molecular FormulaC16H18F2N2O
Molecular Weight292.33 g/mol
Exact Mass292.14
IUPAC Name2-[[1-(2,6-difluorophenyl)propan-2-ylamino]methyl]-6-methylpyridin-3-ol
SMILESCc1ccc(O)c(CNC(C)Cc2c(F)cccc2F)n1
InChIInChI=1S/C16H18F2N2O/c1-10-6-7-16(21)15(20-10)9-19-11(2)8-12-13(17)4-3-5-14(12)18/h3-7,11,19,21H,8-9H2,1-2H3
InChIKeyVJPFWTUWQMAFTQ-UHFFFAOYSA-N
XLogP3.09
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.33
LogP ≤ 53.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-[[1-(2,6-difluorophenyl)propan-2-ylamino]methyl]-6-methylpyridin-3-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[[1-(2,6-difluorophenyl)propan-2-ylamino]methyl]-6-methylpyridin-3-ol?
The IUPAC name of 2-[[1-(2,6-difluorophenyl)propan-2-ylamino]methyl]-6-methylpyridin-3-ol (CID 78928455) is 2-[[1-(2,6-difluorophenyl)propan-2-ylamino]methyl]-6-methylpyridin-3-ol.
What is the SMILES notation for 2-[[1-(2,6-difluorophenyl)propan-2-ylamino]methyl]-6-methylpyridin-3-ol?
The canonical SMILES for 2-[[1-(2,6-difluorophenyl)propan-2-ylamino]methyl]-6-methylpyridin-3-ol is Cc1ccc(O)c(CNC(C)Cc2c(F)cccc2F)n1.
What is the InChIKey of 2-[[1-(2,6-difluorophenyl)propan-2-ylamino]methyl]-6-methylpyridin-3-ol?
The InChIKey is VJPFWTUWQMAFTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18F2N2O/c1-10-6-7-16(21)15(20-10)9-19-11(2)8-12-13(17)4-3-5-14(12)18/h3-7,11,19,21H,8-9H2,1-2H3.
What are the key properties of 2-[[1-(2,6-difluorophenyl)propan-2-ylamino]methyl]-6-methylpyridin-3-ol?
2-[[1-(2,6-difluorophenyl)propan-2-ylamino]methyl]-6-methylpyridin-3-ol has a molecular weight of 292.33 g/mol, XLogP of 3.09, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-(2,6-difluorophenyl)propan-2-ylamino]methyl]-6-methylpyridin-3-ol is sourced from PubChem (CID 78928455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).