N-(2-methoxyethyl)-2-(4-methyl-2,3-dihydroquinoxalin-1-yl)ethanamine

C14H23N3O — CID 55236342

IUPACN-(2-methoxyethyl)-2-(4-methyl-2,3-dihydroquinoxalin-1-yl)ethanamine
SMILESCOCCNCCN1CCN(C)c2ccccc21
InChIInChI=1S/C14H23N3O/c1-16-10-11-17(9-7-15-8-12-18-2)14-6-4-3-5-13(14)16/h3-6,15H,7-12H2,1-2H3
InChIKeyHLRFFKMPAXFKGW-UHFFFAOYSA-N
MW249.36 g/mol
LogP1.18
Rot. Bonds6

About N-(2-methoxyethyl)-2-(4-methyl-2,3-dihydroquinoxalin-1-yl)ethanamine

N-(2-methoxyethyl)-2-(4-methyl-2,3-dihydroquinoxalin-1-yl)ethanamine (PubChem CID 55236342) has the molecular formula C14H23N3O and a molecular weight of 249.36 g/mol. Its IUPAC name is N-(2-methoxyethyl)-2-(4-methyl-2,3-dihydroquinoxalin-1-yl)ethanamine.

Molecular Properties

Compound NameN-(2-methoxyethyl)-2-(4-methyl-2,3-dihydroquinoxalin-1-yl)ethanamine
PubChem CID55236342
Molecular FormulaC14H23N3O
Molecular Weight249.36 g/mol
Exact Mass249.18
IUPAC NameN-(2-methoxyethyl)-2-(4-methyl-2,3-dihydroquinoxalin-1-yl)ethanamine
SMILESCOCCNCCN1CCN(C)c2ccccc21
InChIInChI=1S/C14H23N3O/c1-16-10-11-17(9-7-15-8-12-18-2)14-6-4-3-5-13(14)16/h3-6,15H,7-12H2,1-2H3
InChIKeyHLRFFKMPAXFKGW-UHFFFAOYSA-N
XLogP1.18
TPSA27.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.36
LogP ≤ 51.18
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 N-(2-methoxyethyl)-2-(4-methyl-2,3-dihydroquinoxalin-1-yl)ethanamine?
The IUPAC name of N-(2-methoxyethyl)-2-(4-methyl-2,3-dihydroquinoxalin-1-yl)ethanamine (CID 55236342) is N-(2-methoxyethyl)-2-(4-methyl-2,3-dihydroquinoxalin-1-yl)ethanamine.
What is the SMILES notation for N-(2-methoxyethyl)-2-(4-methyl-2,3-dihydroquinoxalin-1-yl)ethanamine?
The canonical SMILES for N-(2-methoxyethyl)-2-(4-methyl-2,3-dihydroquinoxalin-1-yl)ethanamine is COCCNCCN1CCN(C)c2ccccc21.
What is the InChIKey of N-(2-methoxyethyl)-2-(4-methyl-2,3-dihydroquinoxalin-1-yl)ethanamine?
The InChIKey is HLRFFKMPAXFKGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O/c1-16-10-11-17(9-7-15-8-12-18-2)14-6-4-3-5-13(14)16/h3-6,15H,7-12H2,1-2H3.
What are the key properties of N-(2-methoxyethyl)-2-(4-methyl-2,3-dihydroquinoxalin-1-yl)ethanamine?
N-(2-methoxyethyl)-2-(4-methyl-2,3-dihydroquinoxalin-1-yl)ethanamine has a molecular weight of 249.36 g/mol, XLogP of 1.18, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)-2-(4-methyl-2,3-dihydroquinoxalin-1-yl)ethanamine is sourced from PubChem (CID 55236342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).