2-(6-chloro-3-methylindazol-2-yl)-N-methylethanamine

C11H14ClN3 — CID 84725366

IUPAC2-(6-chloro-3-methylindazol-2-yl)-N-methylethanamine
SMILESCNCCn1nc2cc(Cl)ccc2c1C
InChIInChI=1S/C11H14ClN3/c1-8-10-4-3-9(12)7-11(10)14-15(8)6-5-13-2/h3-4,7,13H,5-6H2,1-2H3
InChIKeyPPAHHVGKDCAXKM-UHFFFAOYSA-N
MW223.71 g/mol
LogP2.22
Rot. Bonds3

About 2-(6-chloro-3-methylindazol-2-yl)-N-methylethanamine

2-(6-chloro-3-methylindazol-2-yl)-N-methylethanamine (PubChem CID 84725366) has the molecular formula C11H14ClN3 and a molecular weight of 223.71 g/mol. Its IUPAC name is 2-(6-chloro-3-methylindazol-2-yl)-N-methylethanamine.

Molecular Properties

Compound Name2-(6-chloro-3-methylindazol-2-yl)-N-methylethanamine
PubChem CID84725366
Molecular FormulaC11H14ClN3
Molecular Weight223.71 g/mol
Exact Mass223.09
IUPAC Name2-(6-chloro-3-methylindazol-2-yl)-N-methylethanamine
SMILESCNCCn1nc2cc(Cl)ccc2c1C
InChIInChI=1S/C11H14ClN3/c1-8-10-4-3-9(12)7-11(10)14-15(8)6-5-13-2/h3-4,7,13H,5-6H2,1-2H3
InChIKeyPPAHHVGKDCAXKM-UHFFFAOYSA-N
XLogP2.22
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.71
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(6-chloro-3-methylindazol-2-yl)-N-methylethanamine?
The IUPAC name of 2-(6-chloro-3-methylindazol-2-yl)-N-methylethanamine (CID 84725366) is 2-(6-chloro-3-methylindazol-2-yl)-N-methylethanamine.
What is the SMILES notation for 2-(6-chloro-3-methylindazol-2-yl)-N-methylethanamine?
The canonical SMILES for 2-(6-chloro-3-methylindazol-2-yl)-N-methylethanamine is CNCCn1nc2cc(Cl)ccc2c1C.
What is the InChIKey of 2-(6-chloro-3-methylindazol-2-yl)-N-methylethanamine?
The InChIKey is PPAHHVGKDCAXKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClN3/c1-8-10-4-3-9(12)7-11(10)14-15(8)6-5-13-2/h3-4,7,13H,5-6H2,1-2H3.
What are the key properties of 2-(6-chloro-3-methylindazol-2-yl)-N-methylethanamine?
2-(6-chloro-3-methylindazol-2-yl)-N-methylethanamine has a molecular weight of 223.71 g/mol, XLogP of 2.22, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-chloro-3-methylindazol-2-yl)-N-methylethanamine is sourced from PubChem (CID 84725366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).