2-(2-indazol-1-ylethoxy)ethanamine

C11H15N3O — CID 103482335

IUPAC2-(2-indazol-1-ylethoxy)ethanamine
SMILESNCCOCCn1ncc2ccccc21
InChIInChI=1S/C11H15N3O/c12-5-7-15-8-6-14-11-4-2-1-3-10(11)9-13-14/h1-4,9H,5-8,12H2
InChIKeySSGIUAWCFXBXTH-UHFFFAOYSA-N
MW205.26 g/mol
LogP1.01
Rot. Bonds5

About 2-(2-indazol-1-ylethoxy)ethanamine

2-(2-indazol-1-ylethoxy)ethanamine (PubChem CID 103482335) has the molecular formula C11H15N3O and a molecular weight of 205.26 g/mol. Its IUPAC name is 2-(2-indazol-1-ylethoxy)ethanamine.

Molecular Properties

Compound Name2-(2-indazol-1-ylethoxy)ethanamine
PubChem CID103482335
Molecular FormulaC11H15N3O
Molecular Weight205.26 g/mol
Exact Mass205.12
IUPAC Name2-(2-indazol-1-ylethoxy)ethanamine
SMILESNCCOCCn1ncc2ccccc21
InChIInChI=1S/C11H15N3O/c12-5-7-15-8-6-14-11-4-2-1-3-10(11)9-13-14/h1-4,9H,5-8,12H2
InChIKeySSGIUAWCFXBXTH-UHFFFAOYSA-N
XLogP1.01
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.26
LogP ≤ 51.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(2-indazol-1-ylethoxy)ethanamine?
The IUPAC name of 2-(2-indazol-1-ylethoxy)ethanamine (CID 103482335) is 2-(2-indazol-1-ylethoxy)ethanamine.
What is the SMILES notation for 2-(2-indazol-1-ylethoxy)ethanamine?
The canonical SMILES for 2-(2-indazol-1-ylethoxy)ethanamine is NCCOCCn1ncc2ccccc21.
What is the InChIKey of 2-(2-indazol-1-ylethoxy)ethanamine?
The InChIKey is SSGIUAWCFXBXTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O/c12-5-7-15-8-6-14-11-4-2-1-3-10(11)9-13-14/h1-4,9H,5-8,12H2.
What are the key properties of 2-(2-indazol-1-ylethoxy)ethanamine?
2-(2-indazol-1-ylethoxy)ethanamine has a molecular weight of 205.26 g/mol, XLogP of 1.01, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-indazol-1-ylethoxy)ethanamine is sourced from PubChem (CID 103482335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).