2-ethoxy-N-(quinoxalin-2-ylmethyl)ethanamine

C13H17N3O — CID 43778393

IUPAC2-ethoxy-N-(quinoxalin-2-ylmethyl)ethanamine
SMILESCCOCCNCc1cnc2ccccc2n1
InChIInChI=1S/C13H17N3O/c1-2-17-8-7-14-9-11-10-15-12-5-3-4-6-13(12)16-11/h3-6,10,14H,2,7-9H2,1H3
InChIKeyRQNDMQZUYHUTBZ-UHFFFAOYSA-N
MW231.30 g/mol
LogP1.76
Rot. Bonds6

About 2-ethoxy-N-(quinoxalin-2-ylmethyl)ethanamine

2-ethoxy-N-(quinoxalin-2-ylmethyl)ethanamine (PubChem CID 43778393) has the molecular formula C13H17N3O and a molecular weight of 231.30 g/mol. Its IUPAC name is 2-ethoxy-N-(quinoxalin-2-ylmethyl)ethanamine.

Molecular Properties

Compound Name2-ethoxy-N-(quinoxalin-2-ylmethyl)ethanamine
PubChem CID43778393
Molecular FormulaC13H17N3O
Molecular Weight231.30 g/mol
Exact Mass231.14
IUPAC Name2-ethoxy-N-(quinoxalin-2-ylmethyl)ethanamine
SMILESCCOCCNCc1cnc2ccccc2n1
InChIInChI=1S/C13H17N3O/c1-2-17-8-7-14-9-11-10-15-12-5-3-4-6-13(12)16-11/h3-6,10,14H,2,7-9H2,1H3
InChIKeyRQNDMQZUYHUTBZ-UHFFFAOYSA-N
XLogP1.76
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.30
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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-(quinoxalin-2-ylmethyl)ethanamine?
The IUPAC name of 2-ethoxy-N-(quinoxalin-2-ylmethyl)ethanamine (CID 43778393) is 2-ethoxy-N-(quinoxalin-2-ylmethyl)ethanamine.
What is the SMILES notation for 2-ethoxy-N-(quinoxalin-2-ylmethyl)ethanamine?
The canonical SMILES for 2-ethoxy-N-(quinoxalin-2-ylmethyl)ethanamine is CCOCCNCc1cnc2ccccc2n1.
What is the InChIKey of 2-ethoxy-N-(quinoxalin-2-ylmethyl)ethanamine?
The InChIKey is RQNDMQZUYHUTBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O/c1-2-17-8-7-14-9-11-10-15-12-5-3-4-6-13(12)16-11/h3-6,10,14H,2,7-9H2,1H3.
What are the key properties of 2-ethoxy-N-(quinoxalin-2-ylmethyl)ethanamine?
2-ethoxy-N-(quinoxalin-2-ylmethyl)ethanamine has a molecular weight of 231.30 g/mol, XLogP of 1.76, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-N-(quinoxalin-2-ylmethyl)ethanamine is sourced from PubChem (CID 43778393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).