5-(2-fluoro-6-methylphenoxy)-1-methylindazol-4-amine

C15H14FN3O — CID 171554183

IUPAC5-(2-fluoro-6-methylphenoxy)-1-methylindazol-4-amine
SMILESCc1cccc(F)c1Oc1ccc2c(cnn2C)c1N
InChIInChI=1S/C15H14FN3O/c1-9-4-3-5-11(16)15(9)20-13-7-6-12-10(14(13)17)8-18-19(12)2/h3-8H,17H2,1-2H3
InChIKeyNTVKAKSEMWRBRT-UHFFFAOYSA-N
MW271.30 g/mol
LogP3.40
Rot. Bonds2

About 5-(2-fluoro-6-methylphenoxy)-1-methylindazol-4-amine

5-(2-fluoro-6-methylphenoxy)-1-methylindazol-4-amine (PubChem CID 171554183) has the molecular formula C15H14FN3O and a molecular weight of 271.30 g/mol. Its IUPAC name is 5-(2-fluoro-6-methylphenoxy)-1-methylindazol-4-amine.

Molecular Properties

Compound Name5-(2-fluoro-6-methylphenoxy)-1-methylindazol-4-amine
PubChem CID171554183
Molecular FormulaC15H14FN3O
Molecular Weight271.30 g/mol
Exact Mass271.11
IUPAC Name5-(2-fluoro-6-methylphenoxy)-1-methylindazol-4-amine
SMILESCc1cccc(F)c1Oc1ccc2c(cnn2C)c1N
InChIInChI=1S/C15H14FN3O/c1-9-4-3-5-11(16)15(9)20-13-7-6-12-10(14(13)17)8-18-19(12)2/h3-8H,17H2,1-2H3
InChIKeyNTVKAKSEMWRBRT-UHFFFAOYSA-N
XLogP3.40
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.30
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-(2-fluoro-6-methylphenoxy)-1-methylindazol-4-amine?
The IUPAC name of 5-(2-fluoro-6-methylphenoxy)-1-methylindazol-4-amine (CID 171554183) is 5-(2-fluoro-6-methylphenoxy)-1-methylindazol-4-amine.
What is the SMILES notation for 5-(2-fluoro-6-methylphenoxy)-1-methylindazol-4-amine?
The canonical SMILES for 5-(2-fluoro-6-methylphenoxy)-1-methylindazol-4-amine is Cc1cccc(F)c1Oc1ccc2c(cnn2C)c1N.
What is the InChIKey of 5-(2-fluoro-6-methylphenoxy)-1-methylindazol-4-amine?
The InChIKey is NTVKAKSEMWRBRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14FN3O/c1-9-4-3-5-11(16)15(9)20-13-7-6-12-10(14(13)17)8-18-19(12)2/h3-8H,17H2,1-2H3.
What are the key properties of 5-(2-fluoro-6-methylphenoxy)-1-methylindazol-4-amine?
5-(2-fluoro-6-methylphenoxy)-1-methylindazol-4-amine has a molecular weight of 271.30 g/mol, XLogP of 3.40, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-fluoro-6-methylphenoxy)-1-methylindazol-4-amine is sourced from PubChem (CID 171554183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).