4-[2-(3-methylphenoxy)ethyl]-2,3-dihydro-1H-quinoxaline

C17H20N2O — CID 82092614

IUPAC4-[2-(3-methylphenoxy)ethyl]-2,3-dihydro-1H-quinoxaline
SMILESCc1cccc(OCCN2CCNc3ccccc32)c1
InChIInChI=1S/C17H20N2O/c1-14-5-4-6-15(13-14)20-12-11-19-10-9-18-16-7-2-3-8-17(16)19/h2-8,13,18H,9-12H2,1H3
InChIKeyIEPYKFNJINNCTO-UHFFFAOYSA-N
MW268.36 g/mol
LogP3.31
Rot. Bonds4

About 4-[2-(3-methylphenoxy)ethyl]-2,3-dihydro-1H-quinoxaline

4-[2-(3-methylphenoxy)ethyl]-2,3-dihydro-1H-quinoxaline (PubChem CID 82092614) has the molecular formula C17H20N2O and a molecular weight of 268.36 g/mol. Its IUPAC name is 4-[2-(3-methylphenoxy)ethyl]-2,3-dihydro-1H-quinoxaline.

Molecular Properties

Compound Name4-[2-(3-methylphenoxy)ethyl]-2,3-dihydro-1H-quinoxaline
PubChem CID82092614
Molecular FormulaC17H20N2O
Molecular Weight268.36 g/mol
Exact Mass268.16
IUPAC Name4-[2-(3-methylphenoxy)ethyl]-2,3-dihydro-1H-quinoxaline
SMILESCc1cccc(OCCN2CCNc3ccccc32)c1
InChIInChI=1S/C17H20N2O/c1-14-5-4-6-15(13-14)20-12-11-19-10-9-18-16-7-2-3-8-17(16)19/h2-8,13,18H,9-12H2,1H3
InChIKeyIEPYKFNJINNCTO-UHFFFAOYSA-N
XLogP3.31
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-(3-methylphenoxy)ethyl]piperazin-2-one
CID 64564764
4-(2-propoxyethyl)-2,3-dihydro-1H-quinoxaline
CID 106453436
1-[2-[2-(3-methylphenoxy)ethylamino]ethyl]imidazolidin-2-one
CID 55013001
4-[2-(3-methoxypropoxy)ethyl]-2,3-dihydro-1H-quinoxaline
CID 103180257
6,7-dimethyl-4-(4-phenoxybutyl)-2,3-dihydro-1H-quinoxaline
CID 94763730
4-[(4-methylphenyl)methyl]-2,3-dihydro-1H-quinoxaline
CID 60811841
4-[(2-methoxy-5-methylphenyl)methyl]-2,3-dihydro-1H-quinoxaline
CID 62160462
(3S)-3-methyl-1-[2-(3-methylphenoxy)ethyl]piperazine
CID 51980514
1-methyl-3-[4-(3-methylphenoxy)butoxy]benzene
CID 2237989
ethane;4-[2-(3-methylphenoxy)ethyl]morpholine
CID 143019407
6,7-dimethyl-1-[3-(3-methylphenoxy)propyl]-3,4-dihydroquinoxalin-2-one
CID 82157387
1-[2-(3-methylphenoxy)ethyl]-2-pyrrolidin-2-ylpyrrolidine
CID 62273920

Frequently Asked Questions

What is the IUPAC name of 4-[2-(3-methylphenoxy)ethyl]-2,3-dihydro-1H-quinoxaline?
The IUPAC name of 4-[2-(3-methylphenoxy)ethyl]-2,3-dihydro-1H-quinoxaline (CID 82092614) is 4-[2-(3-methylphenoxy)ethyl]-2,3-dihydro-1H-quinoxaline.
What is the SMILES notation for 4-[2-(3-methylphenoxy)ethyl]-2,3-dihydro-1H-quinoxaline?
The canonical SMILES for 4-[2-(3-methylphenoxy)ethyl]-2,3-dihydro-1H-quinoxaline is Cc1cccc(OCCN2CCNc3ccccc32)c1.
What is the InChIKey of 4-[2-(3-methylphenoxy)ethyl]-2,3-dihydro-1H-quinoxaline?
The InChIKey is IEPYKFNJINNCTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O/c1-14-5-4-6-15(13-14)20-12-11-19-10-9-18-16-7-2-3-8-17(16)19/h2-8,13,18H,9-12H2,1H3.
What are the key properties of 4-[2-(3-methylphenoxy)ethyl]-2,3-dihydro-1H-quinoxaline?
4-[2-(3-methylphenoxy)ethyl]-2,3-dihydro-1H-quinoxaline has a molecular weight of 268.36 g/mol, XLogP of 3.31, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(3-methylphenoxy)ethyl]-2,3-dihydro-1H-quinoxaline is sourced from PubChem (CID 82092614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).