2-ethoxy-N-(1H-indazol-7-ylmethyl)-N-methylethanamine

C13H19N3O — CID 75518372

IUPAC2-ethoxy-N-(1H-indazol-7-ylmethyl)-N-methylethanamine
SMILESCCOCCN(C)Cc1cccc2cn[nH]c12
InChIInChI=1S/C13H19N3O/c1-3-17-8-7-16(2)10-12-6-4-5-11-9-14-15-13(11)12/h4-6,9H,3,7-8,10H2,1-2H3,(H,14,15)
InChIKeyZQOCTBJJDLXLBH-UHFFFAOYSA-N
MW233.31 g/mol
LogP2.03
Rot. Bonds6

About 2-ethoxy-N-(1H-indazol-7-ylmethyl)-N-methylethanamine

2-ethoxy-N-(1H-indazol-7-ylmethyl)-N-methylethanamine (PubChem CID 75518372) has the molecular formula C13H19N3O and a molecular weight of 233.31 g/mol. Its IUPAC name is 2-ethoxy-N-(1H-indazol-7-ylmethyl)-N-methylethanamine.

Molecular Properties

Compound Name2-ethoxy-N-(1H-indazol-7-ylmethyl)-N-methylethanamine
PubChem CID75518372
Molecular FormulaC13H19N3O
Molecular Weight233.31 g/mol
Exact Mass233.15
IUPAC Name2-ethoxy-N-(1H-indazol-7-ylmethyl)-N-methylethanamine
SMILESCCOCCN(C)Cc1cccc2cn[nH]c12
InChIInChI=1S/C13H19N3O/c1-3-17-8-7-16(2)10-12-6-4-5-11-9-14-15-13(11)12/h4-6,9H,3,7-8,10H2,1-2H3,(H,14,15)
InChIKeyZQOCTBJJDLXLBH-UHFFFAOYSA-N
XLogP2.03
TPSA41.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-N-(1H-indazol-7-ylmethyl)-N-methylethanamine?
The IUPAC name of 2-ethoxy-N-(1H-indazol-7-ylmethyl)-N-methylethanamine (CID 75518372) is 2-ethoxy-N-(1H-indazol-7-ylmethyl)-N-methylethanamine.
What is the SMILES notation for 2-ethoxy-N-(1H-indazol-7-ylmethyl)-N-methylethanamine?
The canonical SMILES for 2-ethoxy-N-(1H-indazol-7-ylmethyl)-N-methylethanamine is CCOCCN(C)Cc1cccc2cn[nH]c12.
What is the InChIKey of 2-ethoxy-N-(1H-indazol-7-ylmethyl)-N-methylethanamine?
The InChIKey is ZQOCTBJJDLXLBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O/c1-3-17-8-7-16(2)10-12-6-4-5-11-9-14-15-13(11)12/h4-6,9H,3,7-8,10H2,1-2H3,(H,14,15).
What are the key properties of 2-ethoxy-N-(1H-indazol-7-ylmethyl)-N-methylethanamine?
2-ethoxy-N-(1H-indazol-7-ylmethyl)-N-methylethanamine has a molecular weight of 233.31 g/mol, XLogP of 2.03, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-N-(1H-indazol-7-ylmethyl)-N-methylethanamine is sourced from PubChem (CID 75518372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).