2-(3-bromo-2-ethylindazol-6-yl)ethanamine

C11H14BrN3 — CID 84729863

IUPAC2-(3-bromo-2-ethylindazol-6-yl)ethanamine
SMILESCCn1nc2cc(CCN)ccc2c1Br
InChIInChI=1S/C11H14BrN3/c1-2-15-11(12)9-4-3-8(5-6-13)7-10(9)14-15/h3-4,7H,2,5-6,13H2,1H3
InChIKeySSORLVDGECESQR-UHFFFAOYSA-N
MW268.16 g/mol
LogP2.32
Rot. Bonds3

About 2-(3-bromo-2-ethylindazol-6-yl)ethanamine

2-(3-bromo-2-ethylindazol-6-yl)ethanamine (PubChem CID 84729863) has the molecular formula C11H14BrN3 and a molecular weight of 268.16 g/mol. Its IUPAC name is 2-(3-bromo-2-ethylindazol-6-yl)ethanamine.

Molecular Properties

Compound Name2-(3-bromo-2-ethylindazol-6-yl)ethanamine
PubChem CID84729863
Molecular FormulaC11H14BrN3
Molecular Weight268.16 g/mol
Exact Mass267.04
IUPAC Name2-(3-bromo-2-ethylindazol-6-yl)ethanamine
SMILESCCn1nc2cc(CCN)ccc2c1Br
InChIInChI=1S/C11H14BrN3/c1-2-15-11(12)9-4-3-8(5-6-13)7-10(9)14-15/h3-4,7H,2,5-6,13H2,1H3
InChIKeySSORLVDGECESQR-UHFFFAOYSA-N
XLogP2.32
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.16
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-bromo-2-ethylindazol-5-amine
CID 84727982
2-(2-ethylbenzotriazol-5-yl)ethanamine
CID 84719598
3-bromo-5-chloro-2-ethylindazole
CID 84729523
2-(3-tert-butyl-2-methylindazol-6-yl)ethanamine
CID 105490205
3-(3-bromo-6-methylindazol-2-yl)propan-1-amine
CID 84729921
2-(2-ethyl-3-methylindazol-4-yl)ethanamine
CID 84721665
(3-bromo-2-propan-2-ylindazol-6-yl)methanamine
CID 84729857
2-(2-ethyl-5-methylindazol-3-yl)ethanamine
CID 84721659
2-(1-methylbenzimidazol-5-yl)ethanamine
CID 82255151
3-(3-bromo-2-methylindazol-5-yl)propan-1-amine
CID 84729937
2-(1,2-dimethylbenzimidazol-5-yl)ethanamine
CID 82255152
2-(3-ethyl-2H-indazol-5-yl)ethanamine
CID 105443877

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromo-2-ethylindazol-6-yl)ethanamine?
The IUPAC name of 2-(3-bromo-2-ethylindazol-6-yl)ethanamine (CID 84729863) is 2-(3-bromo-2-ethylindazol-6-yl)ethanamine.
What is the SMILES notation for 2-(3-bromo-2-ethylindazol-6-yl)ethanamine?
The canonical SMILES for 2-(3-bromo-2-ethylindazol-6-yl)ethanamine is CCn1nc2cc(CCN)ccc2c1Br.
What is the InChIKey of 2-(3-bromo-2-ethylindazol-6-yl)ethanamine?
The InChIKey is SSORLVDGECESQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14BrN3/c1-2-15-11(12)9-4-3-8(5-6-13)7-10(9)14-15/h3-4,7H,2,5-6,13H2,1H3.
What are the key properties of 2-(3-bromo-2-ethylindazol-6-yl)ethanamine?
2-(3-bromo-2-ethylindazol-6-yl)ethanamine has a molecular weight of 268.16 g/mol, XLogP of 2.32, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromo-2-ethylindazol-6-yl)ethanamine is sourced from PubChem (CID 84729863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).