8-ethyl-9-methyl-2,3,6,7,8,9-hexahydro-[1,4]dioxino[2,3-g]isoquinoline

C14H19NO2 — CID 64686973

IUPAC8-ethyl-9-methyl-2,3,6,7,8,9-hexahydro-[1,4]dioxino[2,3-g]isoquinoline
SMILESCCC1NCc2cc3c(cc2C1C)OCCO3
InChIInChI=1S/C14H19NO2/c1-3-12-9(2)11-7-14-13(16-4-5-17-14)6-10(11)8-15-12/h6-7,9,12,15H,3-5,8H2,1-2H3
InChIKeyVXYZRTCVZGPMOT-UHFFFAOYSA-N
MW233.31 g/mol
LogP2.44
Rot. Bonds1

About 8-ethyl-9-methyl-2,3,6,7,8,9-hexahydro-[1,4]dioxino[2,3-g]isoquinoline

8-ethyl-9-methyl-2,3,6,7,8,9-hexahydro-[1,4]dioxino[2,3-g]isoquinoline (PubChem CID 64686973) has the molecular formula C14H19NO2 and a molecular weight of 233.31 g/mol. Its IUPAC name is 8-ethyl-9-methyl-2,3,6,7,8,9-hexahydro-[1,4]dioxino[2,3-g]isoquinoline.

Molecular Properties

Compound Name8-ethyl-9-methyl-2,3,6,7,8,9-hexahydro-[1,4]dioxino[2,3-g]isoquinoline
PubChem CID64686973
Molecular FormulaC14H19NO2
Molecular Weight233.31 g/mol
Exact Mass233.14
IUPAC Name8-ethyl-9-methyl-2,3,6,7,8,9-hexahydro-[1,4]dioxino[2,3-g]isoquinoline
SMILESCCC1NCc2cc3c(cc2C1C)OCCO3
InChIInChI=1S/C14H19NO2/c1-3-12-9(2)11-7-14-13(16-4-5-17-14)6-10(11)8-15-12/h6-7,9,12,15H,3-5,8H2,1-2H3
InChIKeyVXYZRTCVZGPMOT-UHFFFAOYSA-N
XLogP2.44
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 8-ethyl-9-methyl-2,3,6,7,8,9-hexahydro-[1,4]dioxino[2,3-g]isoquinoline with MolForge

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Related Compounds

(9S)-2,3,6,7,8,9-hexahydro-[1,4]dioxino[2,3-g]isoquinolin-9-ol
CID 977765
N-ethyl-7,8-dimethyl-3,6,7,8-tetrahydro-2H-cyclopenta[g][1,4]benzodioxin-6-amine
CID 79725403
4-methyl-3-(2-methylpropyl)-7-propyl-1,2,3,4-tetrahydroisoquinoline
CID 64687006
7,8-dimethyl-3,6,7,8-tetrahydro-2H-cyclopenta[g][1,4]benzodioxin-6-ol
CID 79725802
N-ethyl-7-methyl-2,3,7,8-tetrahydrothieno[2,3-g][1,4]benzodioxin-8-amine
CID 113318325
2-(7-ethyl-2,3-dihydro-1,4-benzodioxin-6-yl)piperidine
CID 117371289
(8S)-N,N-dipropyl-5,6,7,8-tetrahydro-[1,3]dioxolo[4,5-g]isoquinolin-8-amine
CID 9170054
6-[(3,4-dimethoxyphenyl)methyl]-2,3,6,7,8,9-hexahydro-[1,4]dioxino[2,3-g]isoquinoline
CID 22643361
2-methyl-2,3,6,7-tetrahydro-1H-[1,4]dioxino[2,3-f]benzimidazole
CID 123714263
3-benzyl-4,7-dimethyl-1,2,3,4-tetrahydroisoquinoline
CID 64687004
6-(2,5-dimethoxy-4-methylphenyl)-2,3,6,7,8,9-hexahydro-[1,4]dioxino[2,3-g]isoquinoline
CID 3382144
8-methyl-N-propyl-3,6,7,8-tetrahydro-2H-cyclopenta[g][1,4]benzodioxin-6-amine
CID 63821748

Frequently Asked Questions

What is the IUPAC name of 8-ethyl-9-methyl-2,3,6,7,8,9-hexahydro-[1,4]dioxino[2,3-g]isoquinoline?
The IUPAC name of 8-ethyl-9-methyl-2,3,6,7,8,9-hexahydro-[1,4]dioxino[2,3-g]isoquinoline (CID 64686973) is 8-ethyl-9-methyl-2,3,6,7,8,9-hexahydro-[1,4]dioxino[2,3-g]isoquinoline.
What is the SMILES notation for 8-ethyl-9-methyl-2,3,6,7,8,9-hexahydro-[1,4]dioxino[2,3-g]isoquinoline?
The canonical SMILES for 8-ethyl-9-methyl-2,3,6,7,8,9-hexahydro-[1,4]dioxino[2,3-g]isoquinoline is CCC1NCc2cc3c(cc2C1C)OCCO3.
What is the InChIKey of 8-ethyl-9-methyl-2,3,6,7,8,9-hexahydro-[1,4]dioxino[2,3-g]isoquinoline?
The InChIKey is VXYZRTCVZGPMOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO2/c1-3-12-9(2)11-7-14-13(16-4-5-17-14)6-10(11)8-15-12/h6-7,9,12,15H,3-5,8H2,1-2H3.
What are the key properties of 8-ethyl-9-methyl-2,3,6,7,8,9-hexahydro-[1,4]dioxino[2,3-g]isoquinoline?
8-ethyl-9-methyl-2,3,6,7,8,9-hexahydro-[1,4]dioxino[2,3-g]isoquinoline has a molecular weight of 233.31 g/mol, XLogP of 2.44, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-ethyl-9-methyl-2,3,6,7,8,9-hexahydro-[1,4]dioxino[2,3-g]isoquinoline is sourced from PubChem (CID 64686973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).