2-propoxy-1-quinoxalin-6-ylethanamine

C13H17N3O — CID 79575217

IUPAC2-propoxy-1-quinoxalin-6-ylethanamine
SMILESCCCOCC(N)c1ccc2nccnc2c1
InChIInChI=1S/C13H17N3O/c1-2-7-17-9-11(14)10-3-4-12-13(8-10)16-6-5-15-12/h3-6,8,11H,2,7,9,14H2,1H3
InChIKeyBKEYSSMXUWENCM-UHFFFAOYSA-N
MW231.30 g/mol
LogP2.06
Rot. Bonds5

About 2-propoxy-1-quinoxalin-6-ylethanamine

2-propoxy-1-quinoxalin-6-ylethanamine (PubChem CID 79575217) has the molecular formula C13H17N3O and a molecular weight of 231.30 g/mol. Its IUPAC name is 2-propoxy-1-quinoxalin-6-ylethanamine.

Molecular Properties

Compound Name2-propoxy-1-quinoxalin-6-ylethanamine
PubChem CID79575217
Molecular FormulaC13H17N3O
Molecular Weight231.30 g/mol
Exact Mass231.14
IUPAC Name2-propoxy-1-quinoxalin-6-ylethanamine
SMILESCCCOCC(N)c1ccc2nccnc2c1
InChIInChI=1S/C13H17N3O/c1-2-7-17-9-11(14)10-3-4-12-13(8-10)16-6-5-15-12/h3-6,8,11H,2,7,9,14H2,1H3
InChIKeyBKEYSSMXUWENCM-UHFFFAOYSA-N
XLogP2.06
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.30
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-propoxy-1-quinoxalin-6-ylethanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-propoxy-1-quinoxalin-6-ylethanamine?
The IUPAC name of 2-propoxy-1-quinoxalin-6-ylethanamine (CID 79575217) is 2-propoxy-1-quinoxalin-6-ylethanamine.
What is the SMILES notation for 2-propoxy-1-quinoxalin-6-ylethanamine?
The canonical SMILES for 2-propoxy-1-quinoxalin-6-ylethanamine is CCCOCC(N)c1ccc2nccnc2c1.
What is the InChIKey of 2-propoxy-1-quinoxalin-6-ylethanamine?
The InChIKey is BKEYSSMXUWENCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O/c1-2-7-17-9-11(14)10-3-4-12-13(8-10)16-6-5-15-12/h3-6,8,11H,2,7,9,14H2,1H3.
What are the key properties of 2-propoxy-1-quinoxalin-6-ylethanamine?
2-propoxy-1-quinoxalin-6-ylethanamine has a molecular weight of 231.30 g/mol, XLogP of 2.06, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propoxy-1-quinoxalin-6-ylethanamine is sourced from PubChem (CID 79575217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).