N-ethyl-1-(3-indazol-1-ylphenyl)ethanamine

C17H19N3 — CID 79170940

IUPACN-ethyl-1-(3-indazol-1-ylphenyl)ethanamine
SMILESCCNC(C)c1cccc(-n2ncc3ccccc32)c1
InChIInChI=1S/C17H19N3/c1-3-18-13(2)14-8-6-9-16(11-14)20-17-10-5-4-7-15(17)12-19-20/h4-13,18H,3H2,1-2H3
InChIKeyYPJVXEBLCKDASL-UHFFFAOYSA-N
MW265.36 g/mol
LogP3.70
Rot. Bonds4

About N-ethyl-1-(3-indazol-1-ylphenyl)ethanamine

N-ethyl-1-(3-indazol-1-ylphenyl)ethanamine (PubChem CID 79170940) has the molecular formula C17H19N3 and a molecular weight of 265.36 g/mol. Its IUPAC name is N-ethyl-1-(3-indazol-1-ylphenyl)ethanamine.

Molecular Properties

Compound NameN-ethyl-1-(3-indazol-1-ylphenyl)ethanamine
PubChem CID79170940
Molecular FormulaC17H19N3
Molecular Weight265.36 g/mol
Exact Mass265.16
IUPAC NameN-ethyl-1-(3-indazol-1-ylphenyl)ethanamine
SMILESCCNC(C)c1cccc(-n2ncc3ccccc32)c1
InChIInChI=1S/C17H19N3/c1-3-18-13(2)14-8-6-9-16(11-14)20-17-10-5-4-7-15(17)12-19-20/h4-13,18H,3H2,1-2H3
InChIKeyYPJVXEBLCKDASL-UHFFFAOYSA-N
XLogP3.70
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.36
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-(3-indazol-1-ylphenyl)ethanamine?
The IUPAC name of N-ethyl-1-(3-indazol-1-ylphenyl)ethanamine (CID 79170940) is N-ethyl-1-(3-indazol-1-ylphenyl)ethanamine.
What is the SMILES notation for N-ethyl-1-(3-indazol-1-ylphenyl)ethanamine?
The canonical SMILES for N-ethyl-1-(3-indazol-1-ylphenyl)ethanamine is CCNC(C)c1cccc(-n2ncc3ccccc32)c1.
What is the InChIKey of N-ethyl-1-(3-indazol-1-ylphenyl)ethanamine?
The InChIKey is YPJVXEBLCKDASL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3/c1-3-18-13(2)14-8-6-9-16(11-14)20-17-10-5-4-7-15(17)12-19-20/h4-13,18H,3H2,1-2H3.
What are the key properties of N-ethyl-1-(3-indazol-1-ylphenyl)ethanamine?
N-ethyl-1-(3-indazol-1-ylphenyl)ethanamine has a molecular weight of 265.36 g/mol, XLogP of 3.70, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-(3-indazol-1-ylphenyl)ethanamine is sourced from PubChem (CID 79170940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).