1-[4-(2,4-difluorophenoxy)-2-pyridinyl]-N-methylmethanamine

C13H12F2N2O — CID 55058981

IUPAC1-[4-(2,4-difluorophenoxy)-2-pyridinyl]-N-methylmethanamine
SMILESCNCc1cc(Oc2ccc(F)cc2F)ccn1
InChIInChI=1S/C13H12F2N2O/c1-16-8-10-7-11(4-5-17-10)18-13-3-2-9(14)6-12(13)15/h2-7,16H,8H2,1H3
InChIKeyDFDOSEYKJNKPAU-UHFFFAOYSA-N
MW250.25 g/mol
LogP2.87
Rot. Bonds4

About 1-[4-(2,4-difluorophenoxy)-2-pyridinyl]-N-methylmethanamine

1-[4-(2,4-difluorophenoxy)-2-pyridinyl]-N-methylmethanamine (PubChem CID 55058981) has the molecular formula C13H12F2N2O and a molecular weight of 250.25 g/mol. Its IUPAC name is 1-[4-(2,4-difluorophenoxy)-2-pyridinyl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[4-(2,4-difluorophenoxy)-2-pyridinyl]-N-methylmethanamine
PubChem CID55058981
Molecular FormulaC13H12F2N2O
Molecular Weight250.25 g/mol
Exact Mass250.09
IUPAC Name1-[4-(2,4-difluorophenoxy)-2-pyridinyl]-N-methylmethanamine
SMILESCNCc1cc(Oc2ccc(F)cc2F)ccn1
InChIInChI=1S/C13H12F2N2O/c1-16-8-10-7-11(4-5-17-10)18-13-3-2-9(14)6-12(13)15/h2-7,16H,8H2,1H3
InChIKeyDFDOSEYKJNKPAU-UHFFFAOYSA-N
XLogP2.87
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 ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[4-(4-chloro-2-methylphenoxy)-2-pyridinyl]-N-methylmethanamine
CID 62322372
1-[4-(2,5-dichlorophenoxy)-2-pyridinyl]-N-methylmethanamine
CID 62298312
4-(2,4-difluorophenoxy)pyridine-2-carboxylic acid
CID 43325985
[4-(2-fluorophenoxy)-2-pyridinyl]methanol
CID 61257944
1-[5-[(2,4-difluorophenoxy)methyl]-1,2-oxazol-3-yl]-N-methylmethanamine
CID 62450192
1-[2-(4-bromo-3-fluorophenoxy)-5-fluorophenyl]-N-methylmethanamine
CID 65201228
1-[4-(3,5-difluorophenoxy)-3-fluorophenyl]-N-methylmethanamine
CID 55112432
4-(4-fluoro-2-methylphenoxy)-N-methylpyridin-2-amine
CID 113368178
N-[[4-(3,5-difluorophenoxy)-2-pyridinyl]methyl]ethanamine
CID 62786202
4-(4-amino-2-fluorophenoxy)-N-methylpyridin-2-amine
CID 67252307
1-methyl-7-[[2-(methylaminomethyl)-4-pyridinyl]oxy]indole-2-carboxylic acid
CID 22025182
1-(4-ethylphenoxy)-2,4-difluorobenzene
CID 70811757

Frequently Asked Questions

What is the IUPAC name of 1-[4-(2,4-difluorophenoxy)-2-pyridinyl]-N-methylmethanamine?
The IUPAC name of 1-[4-(2,4-difluorophenoxy)-2-pyridinyl]-N-methylmethanamine (CID 55058981) is 1-[4-(2,4-difluorophenoxy)-2-pyridinyl]-N-methylmethanamine.
What is the SMILES notation for 1-[4-(2,4-difluorophenoxy)-2-pyridinyl]-N-methylmethanamine?
The canonical SMILES for 1-[4-(2,4-difluorophenoxy)-2-pyridinyl]-N-methylmethanamine is CNCc1cc(Oc2ccc(F)cc2F)ccn1.
What is the InChIKey of 1-[4-(2,4-difluorophenoxy)-2-pyridinyl]-N-methylmethanamine?
The InChIKey is DFDOSEYKJNKPAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12F2N2O/c1-16-8-10-7-11(4-5-17-10)18-13-3-2-9(14)6-12(13)15/h2-7,16H,8H2,1H3.
What are the key properties of 1-[4-(2,4-difluorophenoxy)-2-pyridinyl]-N-methylmethanamine?
1-[4-(2,4-difluorophenoxy)-2-pyridinyl]-N-methylmethanamine has a molecular weight of 250.25 g/mol, XLogP of 2.87, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2,4-difluorophenoxy)-2-pyridinyl]-N-methylmethanamine is sourced from PubChem (CID 55058981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).