2-(7-methoxy-2-methyl-3,4-dihydro-1H-pyrazino[1,2-a]indol-10-yl)ethanamine

C15H21N3O — CID 84742593

IUPAC2-(7-methoxy-2-methyl-3,4-dihydro-1H-pyrazino[1,2-a]indol-10-yl)ethanamine
SMILESCOc1ccc2c(CCN)c3n(c2c1)CCN(C)C3
InChIInChI=1S/C15H21N3O/c1-17-7-8-18-14-9-11(19-2)3-4-12(14)13(5-6-16)15(18)10-17/h3-4,9H,5-8,10,16H2,1-2H3
InChIKeyYMXFNEXGJMLODR-UHFFFAOYSA-N
MW259.35 g/mol
LogP1.60
Rot. Bonds3

About 2-(7-methoxy-2-methyl-3,4-dihydro-1H-pyrazino[1,2-a]indol-10-yl)ethanamine

2-(7-methoxy-2-methyl-3,4-dihydro-1H-pyrazino[1,2-a]indol-10-yl)ethanamine (PubChem CID 84742593) has the molecular formula C15H21N3O and a molecular weight of 259.35 g/mol. Its IUPAC name is 2-(7-methoxy-2-methyl-3,4-dihydro-1H-pyrazino[1,2-a]indol-10-yl)ethanamine.

Molecular Properties

Compound Name2-(7-methoxy-2-methyl-3,4-dihydro-1H-pyrazino[1,2-a]indol-10-yl)ethanamine
PubChem CID84742593
Molecular FormulaC15H21N3O
Molecular Weight259.35 g/mol
Exact Mass259.17
IUPAC Name2-(7-methoxy-2-methyl-3,4-dihydro-1H-pyrazino[1,2-a]indol-10-yl)ethanamine
SMILESCOc1ccc2c(CCN)c3n(c2c1)CCN(C)C3
InChIInChI=1S/C15H21N3O/c1-17-7-8-18-14-9-11(19-2)3-4-12(14)13(5-6-16)15(18)10-17/h3-4,9H,5-8,10,16H2,1-2H3
InChIKeyYMXFNEXGJMLODR-UHFFFAOYSA-N
XLogP1.60
TPSA43.42 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.35
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(7-methoxy-2-methyl-3,4-dihydro-1H-pyrazino[1,2-a]indol-10-yl)ethanamine?
The IUPAC name of 2-(7-methoxy-2-methyl-3,4-dihydro-1H-pyrazino[1,2-a]indol-10-yl)ethanamine (CID 84742593) is 2-(7-methoxy-2-methyl-3,4-dihydro-1H-pyrazino[1,2-a]indol-10-yl)ethanamine.
What is the SMILES notation for 2-(7-methoxy-2-methyl-3,4-dihydro-1H-pyrazino[1,2-a]indol-10-yl)ethanamine?
The canonical SMILES for 2-(7-methoxy-2-methyl-3,4-dihydro-1H-pyrazino[1,2-a]indol-10-yl)ethanamine is COc1ccc2c(CCN)c3n(c2c1)CCN(C)C3.
What is the InChIKey of 2-(7-methoxy-2-methyl-3,4-dihydro-1H-pyrazino[1,2-a]indol-10-yl)ethanamine?
The InChIKey is YMXFNEXGJMLODR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O/c1-17-7-8-18-14-9-11(19-2)3-4-12(14)13(5-6-16)15(18)10-17/h3-4,9H,5-8,10,16H2,1-2H3.
What are the key properties of 2-(7-methoxy-2-methyl-3,4-dihydro-1H-pyrazino[1,2-a]indol-10-yl)ethanamine?
2-(7-methoxy-2-methyl-3,4-dihydro-1H-pyrazino[1,2-a]indol-10-yl)ethanamine has a molecular weight of 259.35 g/mol, XLogP of 1.60, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(7-methoxy-2-methyl-3,4-dihydro-1H-pyrazino[1,2-a]indol-10-yl)ethanamine is sourced from PubChem (CID 84742593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).