3-(2-phenylethyl)-1-(2-trimethylsilylethoxymethyl)indazol-5-amine

C21H29N3OSi — CID 22567185

IUPAC3-(2-phenylethyl)-1-(2-trimethylsilylethoxymethyl)indazol-5-amine
SMILESC[Si](C)(C)CCOCn1nc(CCc2ccccc2)c2cc(N)ccc21
InChIInChI=1S/C21H29N3OSi/c1-26(2,3)14-13-25-16-24-21-12-10-18(22)15-19(21)20(23-24)11-9-17-7-5-4-6-8-17/h4-8,10,12,15H,9,11,13-14,16,22H2,1-3H3
InChIKeyBSXPVGDJQOLKMJ-UHFFFAOYSA-N
MW367.57 g/mol
LogP4.72
Rot. Bonds8

About 3-(2-phenylethyl)-1-(2-trimethylsilylethoxymethyl)indazol-5-amine

3-(2-phenylethyl)-1-(2-trimethylsilylethoxymethyl)indazol-5-amine (PubChem CID 22567185) has the molecular formula C21H29N3OSi and a molecular weight of 367.57 g/mol. Its IUPAC name is 3-(2-phenylethyl)-1-(2-trimethylsilylethoxymethyl)indazol-5-amine.

Molecular Properties

Compound Name3-(2-phenylethyl)-1-(2-trimethylsilylethoxymethyl)indazol-5-amine
PubChem CID22567185
Molecular FormulaC21H29N3OSi
Molecular Weight367.57 g/mol
Exact Mass367.21
IUPAC Name3-(2-phenylethyl)-1-(2-trimethylsilylethoxymethyl)indazol-5-amine
SMILESC[Si](C)(C)CCOCn1nc(CCc2ccccc2)c2cc(N)ccc21
InChIInChI=1S/C21H29N3OSi/c1-26(2,3)14-13-25-16-24-21-12-10-18(22)15-19(21)20(23-24)11-9-17-7-5-4-6-8-17/h4-8,10,12,15H,9,11,13-14,16,22H2,1-3H3
InChIKeyBSXPVGDJQOLKMJ-UHFFFAOYSA-N
XLogP4.72
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.57
LogP ≤ 54.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-(2-phenylethyl)-1-(2-trimethylsilylethoxymethyl)indazol-5-amine?
The IUPAC name of 3-(2-phenylethyl)-1-(2-trimethylsilylethoxymethyl)indazol-5-amine (CID 22567185) is 3-(2-phenylethyl)-1-(2-trimethylsilylethoxymethyl)indazol-5-amine.
What is the SMILES notation for 3-(2-phenylethyl)-1-(2-trimethylsilylethoxymethyl)indazol-5-amine?
The canonical SMILES for 3-(2-phenylethyl)-1-(2-trimethylsilylethoxymethyl)indazol-5-amine is C[Si](C)(C)CCOCn1nc(CCc2ccccc2)c2cc(N)ccc21.
What is the InChIKey of 3-(2-phenylethyl)-1-(2-trimethylsilylethoxymethyl)indazol-5-amine?
The InChIKey is BSXPVGDJQOLKMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29N3OSi/c1-26(2,3)14-13-25-16-24-21-12-10-18(22)15-19(21)20(23-24)11-9-17-7-5-4-6-8-17/h4-8,10,12,15H,9,11,13-14,16,22H2,1-3H3.
What are the key properties of 3-(2-phenylethyl)-1-(2-trimethylsilylethoxymethyl)indazol-5-amine?
3-(2-phenylethyl)-1-(2-trimethylsilylethoxymethyl)indazol-5-amine has a molecular weight of 367.57 g/mol, XLogP of 4.72, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-phenylethyl)-1-(2-trimethylsilylethoxymethyl)indazol-5-amine is sourced from PubChem (CID 22567185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).