4-(4-amino-2-fluorophenoxy)-N-methylpyridin-2-amine

C12H12FN3O — CID 67252307

IUPAC4-(4-amino-2-fluorophenoxy)-N-methylpyridin-2-amine
SMILESCNc1cc(Oc2ccc(N)cc2F)ccn1
InChIInChI=1S/C12H12FN3O/c1-15-12-7-9(4-5-16-12)17-11-3-2-8(14)6-10(11)13/h2-7H,14H2,1H3,(H,15,16)
InChIKeyAMAZMOALBMDUDF-UHFFFAOYSA-N
MW233.25 g/mol
LogP2.64
Rot. Bonds3

About 4-(4-amino-2-fluorophenoxy)-N-methylpyridin-2-amine

4-(4-amino-2-fluorophenoxy)-N-methylpyridin-2-amine (PubChem CID 67252307) has the molecular formula C12H12FN3O and a molecular weight of 233.25 g/mol. Its IUPAC name is 4-(4-amino-2-fluorophenoxy)-N-methylpyridin-2-amine.

Molecular Properties

Compound Name4-(4-amino-2-fluorophenoxy)-N-methylpyridin-2-amine
PubChem CID67252307
Molecular FormulaC12H12FN3O
Molecular Weight233.25 g/mol
Exact Mass233.10
IUPAC Name4-(4-amino-2-fluorophenoxy)-N-methylpyridin-2-amine
SMILESCNc1cc(Oc2ccc(N)cc2F)ccn1
InChIInChI=1S/C12H12FN3O/c1-15-12-7-9(4-5-16-12)17-11-3-2-8(14)6-10(11)13/h2-7H,14H2,1H3,(H,15,16)
InChIKeyAMAZMOALBMDUDF-UHFFFAOYSA-N
XLogP2.64
TPSA60.17 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.25
LogP ≤ 52.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

3-[4-(4-amino-2-fluorophenoxy)-2-pyridinyl]-1,1-dimethylurea
CID 23153283
4-(4-fluoro-2-methylphenoxy)-N-methylpyridin-2-amine
CID 113368178
N-[4-(4-amino-2-fluorophenoxy)-2-pyridinyl]-2-morpholin-4-ylacetamide
CID 23153235
4-(4-aminophenoxy)-3-fluoroaniline
CID 66486728
4-[3-bromo-4-(trifluoromethoxy)phenoxy]-N-methylpyridin-2-amine
CID 102715111
4-(4-amino-2,5-difluorophenoxy)-N-(cyclopropylmethyl)pyridin-2-amine
CID 123316704
1-[4-(2-fluorophenoxy)-2-pyridinyl]-3-methylurea
CID 155512123
3-fluoro-4-(methylaminomethoxy)aniline
CID 59156754
3-fluoro-4-(4-iodophenoxy)aniline
CID 43144708
4-(4-amino-2-fluorophenoxy)-3-dimethylphosphorylpyridin-2-amine
CID 171509235
3-fluoro-4-(1-methylpyrrolo[2,3-b]pyridin-4-yl)oxyaniline
CID 155679210
1-[4-(2,4-difluorophenoxy)-2-pyridinyl]-N-methylmethanamine
CID 55058981

Frequently Asked Questions

What is the IUPAC name of 4-(4-amino-2-fluorophenoxy)-N-methylpyridin-2-amine?
The IUPAC name of 4-(4-amino-2-fluorophenoxy)-N-methylpyridin-2-amine (CID 67252307) is 4-(4-amino-2-fluorophenoxy)-N-methylpyridin-2-amine.
What is the SMILES notation for 4-(4-amino-2-fluorophenoxy)-N-methylpyridin-2-amine?
The canonical SMILES for 4-(4-amino-2-fluorophenoxy)-N-methylpyridin-2-amine is CNc1cc(Oc2ccc(N)cc2F)ccn1.
What is the InChIKey of 4-(4-amino-2-fluorophenoxy)-N-methylpyridin-2-amine?
The InChIKey is AMAZMOALBMDUDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12FN3O/c1-15-12-7-9(4-5-16-12)17-11-3-2-8(14)6-10(11)13/h2-7H,14H2,1H3,(H,15,16).
What are the key properties of 4-(4-amino-2-fluorophenoxy)-N-methylpyridin-2-amine?
4-(4-amino-2-fluorophenoxy)-N-methylpyridin-2-amine has a molecular weight of 233.25 g/mol, XLogP of 2.64, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-amino-2-fluorophenoxy)-N-methylpyridin-2-amine is sourced from PubChem (CID 67252307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).