6-[(2,4-difluorophenoxy)methyl]-N-methylpyridin-2-amine

C13H12F2N2O — CID 79239177

IUPAC6-[(2,4-difluorophenoxy)methyl]-N-methylpyridin-2-amine
SMILESCNc1cccc(COc2ccc(F)cc2F)n1
InChIInChI=1S/C13H12F2N2O/c1-16-13-4-2-3-10(17-13)8-18-12-6-5-9(14)7-11(12)15/h2-7H,8H2,1H3,(H,16,17)
InChIKeyBZJLBCHTBXLWMH-UHFFFAOYSA-N
MW250.25 g/mol
LogP2.98
Rot. Bonds4

About 6-[(2,4-difluorophenoxy)methyl]-N-methylpyridin-2-amine

6-[(2,4-difluorophenoxy)methyl]-N-methylpyridin-2-amine (PubChem CID 79239177) has the molecular formula C13H12F2N2O and a molecular weight of 250.25 g/mol. Its IUPAC name is 6-[(2,4-difluorophenoxy)methyl]-N-methylpyridin-2-amine.

Molecular Properties

Compound Name6-[(2,4-difluorophenoxy)methyl]-N-methylpyridin-2-amine
PubChem CID79239177
Molecular FormulaC13H12F2N2O
Molecular Weight250.25 g/mol
Exact Mass250.09
IUPAC Name6-[(2,4-difluorophenoxy)methyl]-N-methylpyridin-2-amine
SMILESCNc1cccc(COc2ccc(F)cc2F)n1
InChIInChI=1S/C13H12F2N2O/c1-16-13-4-2-3-10(17-13)8-18-12-6-5-9(14)7-11(12)15/h2-7H,8H2,1H3,(H,16,17)
InChIKeyBZJLBCHTBXLWMH-UHFFFAOYSA-N
XLogP2.98
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.25
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-[(2,4-difluorophenoxy)methyl]-N-methylpyridin-2-amine?
The IUPAC name of 6-[(2,4-difluorophenoxy)methyl]-N-methylpyridin-2-amine (CID 79239177) is 6-[(2,4-difluorophenoxy)methyl]-N-methylpyridin-2-amine.
What is the SMILES notation for 6-[(2,4-difluorophenoxy)methyl]-N-methylpyridin-2-amine?
The canonical SMILES for 6-[(2,4-difluorophenoxy)methyl]-N-methylpyridin-2-amine is CNc1cccc(COc2ccc(F)cc2F)n1.
What is the InChIKey of 6-[(2,4-difluorophenoxy)methyl]-N-methylpyridin-2-amine?
The InChIKey is BZJLBCHTBXLWMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12F2N2O/c1-16-13-4-2-3-10(17-13)8-18-12-6-5-9(14)7-11(12)15/h2-7H,8H2,1H3,(H,16,17).
What are the key properties of 6-[(2,4-difluorophenoxy)methyl]-N-methylpyridin-2-amine?
6-[(2,4-difluorophenoxy)methyl]-N-methylpyridin-2-amine has a molecular weight of 250.25 g/mol, XLogP of 2.98, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(2,4-difluorophenoxy)methyl]-N-methylpyridin-2-amine is sourced from PubChem (CID 79239177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).