6-(3-fluorophenoxy)-1-(oxan-4-yl)indazol-5-amine

C18H18FN3O2 — CID 171554195

IUPAC6-(3-fluorophenoxy)-1-(oxan-4-yl)indazol-5-amine
SMILESNc1cc2cnn(C3CCOCC3)c2cc1Oc1cccc(F)c1
InChIInChI=1S/C18H18FN3O2/c19-13-2-1-3-15(9-13)24-18-10-17-12(8-16(18)20)11-21-22(17)14-4-6-23-7-5-14/h1-3,8-11,14H,4-7,20H2
InChIKeyRBRDJVIUTQTYJQ-UHFFFAOYSA-N
MW327.36 g/mol
LogP3.90
Rot. Bonds3

About 6-(3-fluorophenoxy)-1-(oxan-4-yl)indazol-5-amine

6-(3-fluorophenoxy)-1-(oxan-4-yl)indazol-5-amine (PubChem CID 171554195) has the molecular formula C18H18FN3O2 and a molecular weight of 327.36 g/mol. Its IUPAC name is 6-(3-fluorophenoxy)-1-(oxan-4-yl)indazol-5-amine.

Molecular Properties

Compound Name6-(3-fluorophenoxy)-1-(oxan-4-yl)indazol-5-amine
PubChem CID171554195
Molecular FormulaC18H18FN3O2
Molecular Weight327.36 g/mol
Exact Mass327.14
IUPAC Name6-(3-fluorophenoxy)-1-(oxan-4-yl)indazol-5-amine
SMILESNc1cc2cnn(C3CCOCC3)c2cc1Oc1cccc(F)c1
InChIInChI=1S/C18H18FN3O2/c19-13-2-1-3-15(9-13)24-18-10-17-12(8-16(18)20)11-21-22(17)14-4-6-23-7-5-14/h1-3,8-11,14H,4-7,20H2
InChIKeyRBRDJVIUTQTYJQ-UHFFFAOYSA-N
XLogP3.90
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.36
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-(3-fluorophenoxy)-1-(oxan-4-yl)indazol-5-amine?
The IUPAC name of 6-(3-fluorophenoxy)-1-(oxan-4-yl)indazol-5-amine (CID 171554195) is 6-(3-fluorophenoxy)-1-(oxan-4-yl)indazol-5-amine.
What is the SMILES notation for 6-(3-fluorophenoxy)-1-(oxan-4-yl)indazol-5-amine?
The canonical SMILES for 6-(3-fluorophenoxy)-1-(oxan-4-yl)indazol-5-amine is Nc1cc2cnn(C3CCOCC3)c2cc1Oc1cccc(F)c1.
What is the InChIKey of 6-(3-fluorophenoxy)-1-(oxan-4-yl)indazol-5-amine?
The InChIKey is RBRDJVIUTQTYJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18FN3O2/c19-13-2-1-3-15(9-13)24-18-10-17-12(8-16(18)20)11-21-22(17)14-4-6-23-7-5-14/h1-3,8-11,14H,4-7,20H2.
What are the key properties of 6-(3-fluorophenoxy)-1-(oxan-4-yl)indazol-5-amine?
6-(3-fluorophenoxy)-1-(oxan-4-yl)indazol-5-amine has a molecular weight of 327.36 g/mol, XLogP of 3.90, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-fluorophenoxy)-1-(oxan-4-yl)indazol-5-amine is sourced from PubChem (CID 171554195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).