2-[4-(2-indazol-1-ylethoxy)phenyl]ethanamine

C17H19N3O — CID 62139987

IUPAC2-[4-(2-indazol-1-ylethoxy)phenyl]ethanamine
SMILESNCCc1ccc(OCCn2ncc3ccccc32)cc1
InChIInChI=1S/C17H19N3O/c18-10-9-14-5-7-16(8-6-14)21-12-11-20-17-4-2-1-3-15(17)13-19-20/h1-8,13H,9-12,18H2
InChIKeyZGGIRELNIWBMBM-UHFFFAOYSA-N
MW281.36 g/mol
LogP2.62
Rot. Bonds6

About 2-[4-(2-indazol-1-ylethoxy)phenyl]ethanamine

2-[4-(2-indazol-1-ylethoxy)phenyl]ethanamine (PubChem CID 62139987) has the molecular formula C17H19N3O and a molecular weight of 281.36 g/mol. Its IUPAC name is 2-[4-(2-indazol-1-ylethoxy)phenyl]ethanamine.

Molecular Properties

Compound Name2-[4-(2-indazol-1-ylethoxy)phenyl]ethanamine
PubChem CID62139987
Molecular FormulaC17H19N3O
Molecular Weight281.36 g/mol
Exact Mass281.15
IUPAC Name2-[4-(2-indazol-1-ylethoxy)phenyl]ethanamine
SMILESNCCc1ccc(OCCn2ncc3ccccc32)cc1
InChIInChI=1S/C17H19N3O/c18-10-9-14-5-7-16(8-6-14)21-12-11-20-17-4-2-1-3-15(17)13-19-20/h1-8,13H,9-12,18H2
InChIKeyZGGIRELNIWBMBM-UHFFFAOYSA-N
XLogP2.62
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[4-(3-indazol-1-ylpropoxy)phenyl]methanamine
CID 62140171
2-(2-indazol-1-ylethoxy)ethanamine
CID 103482335
2-(4-indazol-1-ylphenoxy)ethanamine
CID 82513930
3-(2-indazol-1-ylethoxy)benzoic acid
CID 62141673
2-[4-[2-(4-methylpyrazol-1-yl)ethoxy]phenyl]ethanamine
CID 60874221
2-[4-[7-[4-(2-aminoethyl)phenoxy]heptoxy]phenyl]ethanamine
CID 138454042
2-[4-(3-phenylpropoxy)phenyl]ethanamine;hydrochloride
CID 11680862
1-(4-chlorobutyl)indazole
CID 62140548
1-propylindazole
CID 18695497
2-[4-(5-phenylpentoxy)phenyl]ethanamine
CID 22929603
2-[4-(2-imidazol-1-ylethoxy)phenyl]ethanamine
CID 43253780
2-[4-(2-pyridin-2-ylsulfanylethoxy)phenyl]ethanamine
CID 43530482

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-indazol-1-ylethoxy)phenyl]ethanamine?
The IUPAC name of 2-[4-(2-indazol-1-ylethoxy)phenyl]ethanamine (CID 62139987) is 2-[4-(2-indazol-1-ylethoxy)phenyl]ethanamine.
What is the SMILES notation for 2-[4-(2-indazol-1-ylethoxy)phenyl]ethanamine?
The canonical SMILES for 2-[4-(2-indazol-1-ylethoxy)phenyl]ethanamine is NCCc1ccc(OCCn2ncc3ccccc32)cc1.
What is the InChIKey of 2-[4-(2-indazol-1-ylethoxy)phenyl]ethanamine?
The InChIKey is ZGGIRELNIWBMBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O/c18-10-9-14-5-7-16(8-6-14)21-12-11-20-17-4-2-1-3-15(17)13-19-20/h1-8,13H,9-12,18H2.
What are the key properties of 2-[4-(2-indazol-1-ylethoxy)phenyl]ethanamine?
2-[4-(2-indazol-1-ylethoxy)phenyl]ethanamine has a molecular weight of 281.36 g/mol, XLogP of 2.62, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-indazol-1-ylethoxy)phenyl]ethanamine is sourced from PubChem (CID 62139987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).