1-(5-bromo-2-indazol-1-ylphenyl)-N-methylethanamine

C16H16BrN3 — CID 82968624

IUPAC1-(5-bromo-2-indazol-1-ylphenyl)-N-methylethanamine
SMILESCNC(C)c1cc(Br)ccc1-n1ncc2ccccc21
InChIInChI=1S/C16H16BrN3/c1-11(18-2)14-9-13(17)7-8-16(14)20-15-6-4-3-5-12(15)10-19-20/h3-11,18H,1-2H3
InChIKeyZFYSOCGXXKCYDF-UHFFFAOYSA-N
MW330.23 g/mol
LogP4.07
Rot. Bonds3

About 1-(5-bromo-2-indazol-1-ylphenyl)-N-methylethanamine

1-(5-bromo-2-indazol-1-ylphenyl)-N-methylethanamine (PubChem CID 82968624) has the molecular formula C16H16BrN3 and a molecular weight of 330.23 g/mol. Its IUPAC name is 1-(5-bromo-2-indazol-1-ylphenyl)-N-methylethanamine.

Molecular Properties

Compound Name1-(5-bromo-2-indazol-1-ylphenyl)-N-methylethanamine
PubChem CID82968624
Molecular FormulaC16H16BrN3
Molecular Weight330.23 g/mol
Exact Mass329.05
IUPAC Name1-(5-bromo-2-indazol-1-ylphenyl)-N-methylethanamine
SMILESCNC(C)c1cc(Br)ccc1-n1ncc2ccccc21
InChIInChI=1S/C16H16BrN3/c1-11(18-2)14-9-13(17)7-8-16(14)20-15-6-4-3-5-12(15)10-19-20/h3-11,18H,1-2H3
InChIKeyZFYSOCGXXKCYDF-UHFFFAOYSA-N
XLogP4.07
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.23
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(5-bromo-2-indazol-1-ylphenyl)-N-methylethanamine?
The IUPAC name of 1-(5-bromo-2-indazol-1-ylphenyl)-N-methylethanamine (CID 82968624) is 1-(5-bromo-2-indazol-1-ylphenyl)-N-methylethanamine.
What is the SMILES notation for 1-(5-bromo-2-indazol-1-ylphenyl)-N-methylethanamine?
The canonical SMILES for 1-(5-bromo-2-indazol-1-ylphenyl)-N-methylethanamine is CNC(C)c1cc(Br)ccc1-n1ncc2ccccc21.
What is the InChIKey of 1-(5-bromo-2-indazol-1-ylphenyl)-N-methylethanamine?
The InChIKey is ZFYSOCGXXKCYDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16BrN3/c1-11(18-2)14-9-13(17)7-8-16(14)20-15-6-4-3-5-12(15)10-19-20/h3-11,18H,1-2H3.
What are the key properties of 1-(5-bromo-2-indazol-1-ylphenyl)-N-methylethanamine?
1-(5-bromo-2-indazol-1-ylphenyl)-N-methylethanamine has a molecular weight of 330.23 g/mol, XLogP of 4.07, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromo-2-indazol-1-ylphenyl)-N-methylethanamine is sourced from PubChem (CID 82968624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).