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

C14H19N3O — CID 84741765

IUPAC2-(7-methoxy-3,4-dihydro-1H-pyrazino[1,2-a]indol-2-yl)ethanamine
SMILESCOc1ccc2cc3n(c2c1)CCN(CCN)C3
InChIInChI=1S/C14H19N3O/c1-18-13-3-2-11-8-12-10-16(5-4-15)6-7-17(12)14(11)9-13/h2-3,8-9H,4-7,10,15H2,1H3
InChIKeyCMUDZMXHPBVXKC-UHFFFAOYSA-N
MW245.33 g/mol
LogP1.42
Rot. Bonds3

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

2-(7-methoxy-3,4-dihydro-1H-pyrazino[1,2-a]indol-2-yl)ethanamine (PubChem CID 84741765) has the molecular formula C14H19N3O and a molecular weight of 245.33 g/mol. Its IUPAC name is 2-(7-methoxy-3,4-dihydro-1H-pyrazino[1,2-a]indol-2-yl)ethanamine.

Molecular Properties

Compound Name2-(7-methoxy-3,4-dihydro-1H-pyrazino[1,2-a]indol-2-yl)ethanamine
PubChem CID84741765
Molecular FormulaC14H19N3O
Molecular Weight245.33 g/mol
Exact Mass245.15
IUPAC Name2-(7-methoxy-3,4-dihydro-1H-pyrazino[1,2-a]indol-2-yl)ethanamine
SMILESCOc1ccc2cc3n(c2c1)CCN(CCN)C3
InChIInChI=1S/C14H19N3O/c1-18-13-3-2-11-8-12-10-16(5-4-15)6-7-17(12)14(11)9-13/h2-3,8-9H,4-7,10,15H2,1H3
InChIKeyCMUDZMXHPBVXKC-UHFFFAOYSA-N
XLogP1.42
TPSA43.42 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.33
LogP ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(7-methoxy-3,4-dihydro-1H-pyrazino[1,2-a]indol-2-yl)ethanamine?
The IUPAC name of 2-(7-methoxy-3,4-dihydro-1H-pyrazino[1,2-a]indol-2-yl)ethanamine (CID 84741765) is 2-(7-methoxy-3,4-dihydro-1H-pyrazino[1,2-a]indol-2-yl)ethanamine.
What is the SMILES notation for 2-(7-methoxy-3,4-dihydro-1H-pyrazino[1,2-a]indol-2-yl)ethanamine?
The canonical SMILES for 2-(7-methoxy-3,4-dihydro-1H-pyrazino[1,2-a]indol-2-yl)ethanamine is COc1ccc2cc3n(c2c1)CCN(CCN)C3.
What is the InChIKey of 2-(7-methoxy-3,4-dihydro-1H-pyrazino[1,2-a]indol-2-yl)ethanamine?
The InChIKey is CMUDZMXHPBVXKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O/c1-18-13-3-2-11-8-12-10-16(5-4-15)6-7-17(12)14(11)9-13/h2-3,8-9H,4-7,10,15H2,1H3.
What are the key properties of 2-(7-methoxy-3,4-dihydro-1H-pyrazino[1,2-a]indol-2-yl)ethanamine?
2-(7-methoxy-3,4-dihydro-1H-pyrazino[1,2-a]indol-2-yl)ethanamine has a molecular weight of 245.33 g/mol, XLogP of 1.42, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(7-methoxy-3,4-dihydro-1H-pyrazino[1,2-a]indol-2-yl)ethanamine is sourced from PubChem (CID 84741765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).