3-[(2,4-difluorophenyl)methoxy]-6-methylpyridin-2-amine

C13H12F2N2O — CID 62197636

IUPAC3-[(2,4-difluorophenyl)methoxy]-6-methylpyridin-2-amine
SMILESCc1ccc(OCc2ccc(F)cc2F)c(N)n1
InChIInChI=1S/C13H12F2N2O/c1-8-2-5-12(13(16)17-8)18-7-9-3-4-10(14)6-11(9)15/h2-6H,7H2,1H3,(H2,16,17)
InChIKeyUUJVYRTUVRHURH-UHFFFAOYSA-N
MW250.25 g/mol
LogP2.83
Rot. Bonds3

About 3-[(2,4-difluorophenyl)methoxy]-6-methylpyridin-2-amine

3-[(2,4-difluorophenyl)methoxy]-6-methylpyridin-2-amine (PubChem CID 62197636) has the molecular formula C13H12F2N2O and a molecular weight of 250.25 g/mol. Its IUPAC name is 3-[(2,4-difluorophenyl)methoxy]-6-methylpyridin-2-amine.

Molecular Properties

Compound Name3-[(2,4-difluorophenyl)methoxy]-6-methylpyridin-2-amine
PubChem CID62197636
Molecular FormulaC13H12F2N2O
Molecular Weight250.25 g/mol
Exact Mass250.09
IUPAC Name3-[(2,4-difluorophenyl)methoxy]-6-methylpyridin-2-amine
SMILESCc1ccc(OCc2ccc(F)cc2F)c(N)n1
InChIInChI=1S/C13H12F2N2O/c1-8-2-5-12(13(16)17-8)18-7-9-3-4-10(14)6-11(9)15/h2-6H,7H2,1H3,(H2,16,17)
InChIKeyUUJVYRTUVRHURH-UHFFFAOYSA-N
XLogP2.83
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.25
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_OC_no_alk_C(3)', 'substructure': 'N/A'}

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Related Compounds

2-(bromomethyl)-3-[(2,4-difluorophenyl)methoxy]-6-methylpyridine
CID 79168878
1-[3-[(2,4-difluorophenyl)methoxy]-6-methyl-2-pyridinyl]propan-2-amine
CID 79164687
2-[(2,4-difluorophenyl)methoxy]-5-fluoroaniline
CID 62368347
3-[(2-amino-6-methyl-3-pyridinyl)oxymethyl]-4-fluorobenzonitrile
CID 55036974
3-[(3-chloro-2-fluorophenyl)methoxy]-6-methylpyridin-2-amine
CID 102855362
3-[(4-fluoro-2-methylphenyl)methoxy]pyridin-2-amine
CID 114345632
3-ethoxy-6-methylpyridin-2-amine
CID 54057030
(1S)-1-[2-[(2,4-difluorophenyl)methoxy]-4-fluorophenyl]ethanol
CID 63366143
1-[3-[(2-bromo-4-fluorophenyl)methoxy]-6-methyl-2-pyridinyl]propan-2-amine
CID 79164686
3-[(2-chloro-4-fluorophenyl)methoxy]-6-methylpyridine-2-carbaldehyde
CID 78929205
6-methyl-3-[(5-methyl-3-pyridinyl)methoxy]pyridin-2-amine
CID 102880225
1-[5-chloro-2-[(2,4-difluorophenyl)methoxy]phenyl]propan-2-amine
CID 62196739

Frequently Asked Questions

What is the IUPAC name of 3-[(2,4-difluorophenyl)methoxy]-6-methylpyridin-2-amine?
The IUPAC name of 3-[(2,4-difluorophenyl)methoxy]-6-methylpyridin-2-amine (CID 62197636) is 3-[(2,4-difluorophenyl)methoxy]-6-methylpyridin-2-amine.
What is the SMILES notation for 3-[(2,4-difluorophenyl)methoxy]-6-methylpyridin-2-amine?
The canonical SMILES for 3-[(2,4-difluorophenyl)methoxy]-6-methylpyridin-2-amine is Cc1ccc(OCc2ccc(F)cc2F)c(N)n1.
What is the InChIKey of 3-[(2,4-difluorophenyl)methoxy]-6-methylpyridin-2-amine?
The InChIKey is UUJVYRTUVRHURH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12F2N2O/c1-8-2-5-12(13(16)17-8)18-7-9-3-4-10(14)6-11(9)15/h2-6H,7H2,1H3,(H2,16,17).
What are the key properties of 3-[(2,4-difluorophenyl)methoxy]-6-methylpyridin-2-amine?
3-[(2,4-difluorophenyl)methoxy]-6-methylpyridin-2-amine has a molecular weight of 250.25 g/mol, XLogP of 2.83, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2,4-difluorophenyl)methoxy]-6-methylpyridin-2-amine is sourced from PubChem (CID 62197636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).