6-(3-fluoro-4-methylphenoxy)-2-N-methylpyridine-2,3-diamine

C13H14FN3O — CID 68661487

IUPAC6-(3-fluoro-4-methylphenoxy)-2-N-methylpyridine-2,3-diamine
SMILESCNc1nc(Oc2ccc(C)c(F)c2)ccc1N
InChIInChI=1S/C13H14FN3O/c1-8-3-4-9(7-10(8)14)18-12-6-5-11(15)13(16-2)17-12/h3-7H,15H2,1-2H3,(H,16,17)
InChIKeyOSCWLGVGGDKNKH-UHFFFAOYSA-N
MW247.27 g/mol
LogP2.95
Rot. Bonds3

About 6-(3-fluoro-4-methylphenoxy)-2-N-methylpyridine-2,3-diamine

6-(3-fluoro-4-methylphenoxy)-2-N-methylpyridine-2,3-diamine (PubChem CID 68661487) has the molecular formula C13H14FN3O and a molecular weight of 247.27 g/mol. Its IUPAC name is 6-(3-fluoro-4-methylphenoxy)-2-N-methylpyridine-2,3-diamine.

Molecular Properties

Compound Name6-(3-fluoro-4-methylphenoxy)-2-N-methylpyridine-2,3-diamine
PubChem CID68661487
Molecular FormulaC13H14FN3O
Molecular Weight247.27 g/mol
Exact Mass247.11
IUPAC Name6-(3-fluoro-4-methylphenoxy)-2-N-methylpyridine-2,3-diamine
SMILESCNc1nc(Oc2ccc(C)c(F)c2)ccc1N
InChIInChI=1S/C13H14FN3O/c1-8-3-4-9(7-10(8)14)18-12-6-5-11(15)13(16-2)17-12/h3-7H,15H2,1-2H3,(H,16,17)
InChIKeyOSCWLGVGGDKNKH-UHFFFAOYSA-N
XLogP2.95
TPSA60.17 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.27
LogP ≤ 52.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3-fluoro-4-methylphenoxy)-5-methylpyridin-4-amine
CID 107168502
3,5-dichloro-6-(3-fluoro-4-methylphenoxy)-N-methylpyridin-2-amine
CID 107171841
4-chloro-6-(3-fluoro-4-methylphenoxy)pyrimidin-2-amine
CID 107169142
6-methoxy-2-N-methylpyridine-2,3-diamine;hydrochloride
CID 22731600
2-(3-fluoro-4-methylphenoxy)pyridin-3-amine
CID 107168496
6-(3-fluoro-4-methylphenoxy)-2-(trifluoromethyl)pyrimidin-4-amine
CID 107171778
N-tert-butyl-6-(3-fluoro-4-methylphenoxy)pyridin-2-amine
CID 107170638
1-[4-[[5-amino-6-(methylamino)-2-pyridinyl]oxy]-2-pyridinyl]propan-2-one
CID 167694273
2-(3-fluoro-4-methylphenoxy)pyrimidin-5-amine
CID 107168482
5-(3-fluoro-4-methylphenoxy)pyridin-3-amine
CID 107171750
3-(3-fluoro-4-methylphenoxy)-1-methylpyrazol-4-amine
CID 107168524
6-(3-fluoro-4-methylphenoxy)-2-N,2-N,4-N-trimethyl-1,3,5-triazine-2,4-diamine
CID 107171788

Frequently Asked Questions

What is the IUPAC name of 6-(3-fluoro-4-methylphenoxy)-2-N-methylpyridine-2,3-diamine?
The IUPAC name of 6-(3-fluoro-4-methylphenoxy)-2-N-methylpyridine-2,3-diamine (CID 68661487) is 6-(3-fluoro-4-methylphenoxy)-2-N-methylpyridine-2,3-diamine.
What is the SMILES notation for 6-(3-fluoro-4-methylphenoxy)-2-N-methylpyridine-2,3-diamine?
The canonical SMILES for 6-(3-fluoro-4-methylphenoxy)-2-N-methylpyridine-2,3-diamine is CNc1nc(Oc2ccc(C)c(F)c2)ccc1N.
What is the InChIKey of 6-(3-fluoro-4-methylphenoxy)-2-N-methylpyridine-2,3-diamine?
The InChIKey is OSCWLGVGGDKNKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14FN3O/c1-8-3-4-9(7-10(8)14)18-12-6-5-11(15)13(16-2)17-12/h3-7H,15H2,1-2H3,(H,16,17).
What are the key properties of 6-(3-fluoro-4-methylphenoxy)-2-N-methylpyridine-2,3-diamine?
6-(3-fluoro-4-methylphenoxy)-2-N-methylpyridine-2,3-diamine has a molecular weight of 247.27 g/mol, XLogP of 2.95, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-fluoro-4-methylphenoxy)-2-N-methylpyridine-2,3-diamine is sourced from PubChem (CID 68661487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).