2-(4-methoxy-1-methyl-3H-indazol-2-yl)ethanamine

C11H17N3O — CID 70953522

IUPAC2-(4-methoxy-1-methyl-3H-indazol-2-yl)ethanamine
SMILESCOc1cccc2c1CN(CCN)N2C
InChIInChI=1S/C11H17N3O/c1-13-10-4-3-5-11(15-2)9(10)8-14(13)7-6-12/h3-5H,6-8,12H2,1-2H3
InChIKeyJWEGBUJQNYGAKD-UHFFFAOYSA-N
MW207.28 g/mol
LogP0.82
Rot. Bonds3

About 2-(4-methoxy-1-methyl-3H-indazol-2-yl)ethanamine

2-(4-methoxy-1-methyl-3H-indazol-2-yl)ethanamine (PubChem CID 70953522) has the molecular formula C11H17N3O and a molecular weight of 207.28 g/mol. Its IUPAC name is 2-(4-methoxy-1-methyl-3H-indazol-2-yl)ethanamine.

Molecular Properties

Compound Name2-(4-methoxy-1-methyl-3H-indazol-2-yl)ethanamine
PubChem CID70953522
Molecular FormulaC11H17N3O
Molecular Weight207.28 g/mol
Exact Mass207.14
IUPAC Name2-(4-methoxy-1-methyl-3H-indazol-2-yl)ethanamine
SMILESCOc1cccc2c1CN(CCN)N2C
InChIInChI=1S/C11H17N3O/c1-13-10-4-3-5-11(15-2)9(10)8-14(13)7-6-12/h3-5H,6-8,12H2,1-2H3
InChIKeyJWEGBUJQNYGAKD-UHFFFAOYSA-N
XLogP0.82
TPSA41.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.28
LogP ≤ 50.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxy-1-methyl-3H-indazol-2-yl)ethanamine?
The IUPAC name of 2-(4-methoxy-1-methyl-3H-indazol-2-yl)ethanamine (CID 70953522) is 2-(4-methoxy-1-methyl-3H-indazol-2-yl)ethanamine.
What is the SMILES notation for 2-(4-methoxy-1-methyl-3H-indazol-2-yl)ethanamine?
The canonical SMILES for 2-(4-methoxy-1-methyl-3H-indazol-2-yl)ethanamine is COc1cccc2c1CN(CCN)N2C.
What is the InChIKey of 2-(4-methoxy-1-methyl-3H-indazol-2-yl)ethanamine?
The InChIKey is JWEGBUJQNYGAKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O/c1-13-10-4-3-5-11(15-2)9(10)8-14(13)7-6-12/h3-5H,6-8,12H2,1-2H3.
What are the key properties of 2-(4-methoxy-1-methyl-3H-indazol-2-yl)ethanamine?
2-(4-methoxy-1-methyl-3H-indazol-2-yl)ethanamine has a molecular weight of 207.28 g/mol, XLogP of 0.82, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxy-1-methyl-3H-indazol-2-yl)ethanamine is sourced from PubChem (CID 70953522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).