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

C15H23N3O — CID 104746378

IUPAC2-(4-methyl-2,3-dihydroquinoxalin-1-yl)-1-(oxolan-3-yl)ethanamine
SMILESCN1CCN(CC(N)C2CCOC2)c2ccccc21
InChIInChI=1S/C15H23N3O/c1-17-7-8-18(15-5-3-2-4-14(15)17)10-13(16)12-6-9-19-11-12/h2-5,12-13H,6-11,16H2,1H3
InChIKeyFMINLCMQIISNRC-UHFFFAOYSA-N
MW261.37 g/mol
LogP1.31
Rot. Bonds3

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

2-(4-methyl-2,3-dihydroquinoxalin-1-yl)-1-(oxolan-3-yl)ethanamine (PubChem CID 104746378) has the molecular formula C15H23N3O and a molecular weight of 261.37 g/mol. Its IUPAC name is 2-(4-methyl-2,3-dihydroquinoxalin-1-yl)-1-(oxolan-3-yl)ethanamine.

Molecular Properties

Compound Name2-(4-methyl-2,3-dihydroquinoxalin-1-yl)-1-(oxolan-3-yl)ethanamine
PubChem CID104746378
Molecular FormulaC15H23N3O
Molecular Weight261.37 g/mol
Exact Mass261.18
IUPAC Name2-(4-methyl-2,3-dihydroquinoxalin-1-yl)-1-(oxolan-3-yl)ethanamine
SMILESCN1CCN(CC(N)C2CCOC2)c2ccccc21
InChIInChI=1S/C15H23N3O/c1-17-7-8-18(15-5-3-2-4-14(15)17)10-13(16)12-6-9-19-11-12/h2-5,12-13H,6-11,16H2,1H3
InChIKeyFMINLCMQIISNRC-UHFFFAOYSA-N
XLogP1.31
TPSA41.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
LogP ≤ 51.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(4-methyl-2,3-dihydroquinoxalin-1-yl)-1-(oxolan-3-yl)ethanamine?
The IUPAC name of 2-(4-methyl-2,3-dihydroquinoxalin-1-yl)-1-(oxolan-3-yl)ethanamine (CID 104746378) is 2-(4-methyl-2,3-dihydroquinoxalin-1-yl)-1-(oxolan-3-yl)ethanamine.
What is the SMILES notation for 2-(4-methyl-2,3-dihydroquinoxalin-1-yl)-1-(oxolan-3-yl)ethanamine?
The canonical SMILES for 2-(4-methyl-2,3-dihydroquinoxalin-1-yl)-1-(oxolan-3-yl)ethanamine is CN1CCN(CC(N)C2CCOC2)c2ccccc21.
What is the InChIKey of 2-(4-methyl-2,3-dihydroquinoxalin-1-yl)-1-(oxolan-3-yl)ethanamine?
The InChIKey is FMINLCMQIISNRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O/c1-17-7-8-18(15-5-3-2-4-14(15)17)10-13(16)12-6-9-19-11-12/h2-5,12-13H,6-11,16H2,1H3.
What are the key properties of 2-(4-methyl-2,3-dihydroquinoxalin-1-yl)-1-(oxolan-3-yl)ethanamine?
2-(4-methyl-2,3-dihydroquinoxalin-1-yl)-1-(oxolan-3-yl)ethanamine has a molecular weight of 261.37 g/mol, XLogP of 1.31, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methyl-2,3-dihydroquinoxalin-1-yl)-1-(oxolan-3-yl)ethanamine is sourced from PubChem (CID 104746378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).