(4aS,8aS)-4-(2-ethoxyphenyl)-2,3,4a,5,6,7,8,8a-octahydro-1H-quinoxaline

C16H24N2O — CID 124675917

IUPAC(4aS,8aS)-4-(2-ethoxyphenyl)-2,3,4a,5,6,7,8,8a-octahydro-1H-quinoxaline
SMILESCCOc1ccccc1N1CCN[C@H]2CCCC[C@@H]21
InChIInChI=1S/C16H24N2O/c1-2-19-16-10-6-5-9-15(16)18-12-11-17-13-7-3-4-8-14(13)18/h5-6,9-10,13-14,17H,2-4,7-8,11-12H2,1H3/t13-,14-/m0/s1
InChIKeyZAYGWVLLACKDBC-KBPBESRZSA-N
MW260.38 g/mol
LogP2.81
Rot. Bonds3

About (4aS,8aS)-4-(2-ethoxyphenyl)-2,3,4a,5,6,7,8,8a-octahydro-1H-quinoxaline

(4aS,8aS)-4-(2-ethoxyphenyl)-2,3,4a,5,6,7,8,8a-octahydro-1H-quinoxaline (PubChem CID 124675917) has the molecular formula C16H24N2O and a molecular weight of 260.38 g/mol. Its IUPAC name is (4aS,8aS)-4-(2-ethoxyphenyl)-2,3,4a,5,6,7,8,8a-octahydro-1H-quinoxaline.

Molecular Properties

Compound Name(4aS,8aS)-4-(2-ethoxyphenyl)-2,3,4a,5,6,7,8,8a-octahydro-1H-quinoxaline
PubChem CID124675917
Molecular FormulaC16H24N2O
Molecular Weight260.38 g/mol
Exact Mass260.19
IUPAC Name(4aS,8aS)-4-(2-ethoxyphenyl)-2,3,4a,5,6,7,8,8a-octahydro-1H-quinoxaline
SMILESCCOc1ccccc1N1CCN[C@H]2CCCC[C@@H]21
InChIInChI=1S/C16H24N2O/c1-2-19-16-10-6-5-9-15(16)18-12-11-17-13-7-3-4-8-14(13)18/h5-6,9-10,13-14,17H,2-4,7-8,11-12H2,1H3/t13-,14-/m0/s1
InChIKeyZAYGWVLLACKDBC-KBPBESRZSA-N
XLogP2.81
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.38
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (4aS,8aS)-4-(2-ethoxyphenyl)-2,3,4a,5,6,7,8,8a-octahydro-1H-quinoxaline with MolForge

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Related Compounds

4-(3-fluoro-2-methylphenyl)-2,3,4a,5,6,7,8,8a-octahydro-1H-quinoxaline
CID 102571308
(4aS,7aS)-4-(2,3-dimethylphenyl)-1,2,3,4a,5,6,7,7a-octahydrocyclopenta[b]pyrazine
CID 124676041
1-(2-ethoxyphenyl)-4-methyl-1,5-diazocane
CID 54973542
4-(4-fluoro-2-methylphenyl)-2,3,4a,5,6,7,8,8a-octahydro-1H-quinoxaline
CID 102571307
(4aS,7aR)-4-(2,5-difluorophenyl)-1,2,3,4a,5,6,7,7a-octahydrocyclopenta[b]pyrazine
CID 124676052
4-(2,5-dimethylphenyl)-2,3,4a,5,6,7,8,8a-octahydro-1H-quinoxaline
CID 102571301
(4aS,8aS)-4-(4-fluorophenyl)-2,3,4a,5,6,7,8,8a-octahydro-1H-quinoxaline
CID 124675903
ethane;1-(2-ethoxyphenyl)piperazine
CID 142040905
(4aS,8aR)-4-(4-methoxyphenyl)-2,3,4a,5,6,7,8,8a-octahydro-1H-quinoxaline
CID 124675892
1-(2-ethoxyphenyl)-2-methylpiperidin-4-one
CID 54975575
(4aS,7aS)-4-(2,4-dimethylphenyl)-1,2,3,4a,5,6,7,7a-octahydrocyclopenta[b]pyrazine
CID 124676031
6-[2-(2-ethoxyphenoxy)ethyl]-1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridine
CID 102682265

Frequently Asked Questions

What is the IUPAC name of (4aS,8aS)-4-(2-ethoxyphenyl)-2,3,4a,5,6,7,8,8a-octahydro-1H-quinoxaline?
The IUPAC name of (4aS,8aS)-4-(2-ethoxyphenyl)-2,3,4a,5,6,7,8,8a-octahydro-1H-quinoxaline (CID 124675917) is (4aS,8aS)-4-(2-ethoxyphenyl)-2,3,4a,5,6,7,8,8a-octahydro-1H-quinoxaline.
What is the SMILES notation for (4aS,8aS)-4-(2-ethoxyphenyl)-2,3,4a,5,6,7,8,8a-octahydro-1H-quinoxaline?
The canonical SMILES for (4aS,8aS)-4-(2-ethoxyphenyl)-2,3,4a,5,6,7,8,8a-octahydro-1H-quinoxaline is CCOc1ccccc1N1CCN[C@H]2CCCC[C@@H]21.
What is the InChIKey of (4aS,8aS)-4-(2-ethoxyphenyl)-2,3,4a,5,6,7,8,8a-octahydro-1H-quinoxaline?
The InChIKey is ZAYGWVLLACKDBC-KBPBESRZSA-N. The full InChI is InChI=1S/C16H24N2O/c1-2-19-16-10-6-5-9-15(16)18-12-11-17-13-7-3-4-8-14(13)18/h5-6,9-10,13-14,17H,2-4,7-8,11-12H2,1H3/t13-,14-/m0/s1.
What are the key properties of (4aS,8aS)-4-(2-ethoxyphenyl)-2,3,4a,5,6,7,8,8a-octahydro-1H-quinoxaline?
(4aS,8aS)-4-(2-ethoxyphenyl)-2,3,4a,5,6,7,8,8a-octahydro-1H-quinoxaline has a molecular weight of 260.38 g/mol, XLogP of 2.81, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4aS,8aS)-4-(2-ethoxyphenyl)-2,3,4a,5,6,7,8,8a-octahydro-1H-quinoxaline is sourced from PubChem (CID 124675917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).