1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(3-ethylmorpholin-4-yl)ethanamine

C16H24N2O3 — CID 43613115

IUPAC1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(3-ethylmorpholin-4-yl)ethanamine
SMILESCCC1COCCN1CC(N)c1ccc2c(c1)OCCO2
InChIInChI=1S/C16H24N2O3/c1-2-13-11-19-6-5-18(13)10-14(17)12-3-4-15-16(9-12)21-8-7-20-15/h3-4,9,13-14H,2,5-8,10-11,17H2,1H3
InChIKeyHQXGAHWLEBKJBT-UHFFFAOYSA-N
MW292.38 g/mol
LogP1.57
Rot. Bonds4

About 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(3-ethylmorpholin-4-yl)ethanamine

1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(3-ethylmorpholin-4-yl)ethanamine (PubChem CID 43613115) has the molecular formula C16H24N2O3 and a molecular weight of 292.38 g/mol. Its IUPAC name is 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(3-ethylmorpholin-4-yl)ethanamine.

Molecular Properties

Compound Name1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(3-ethylmorpholin-4-yl)ethanamine
PubChem CID43613115
Molecular FormulaC16H24N2O3
Molecular Weight292.38 g/mol
Exact Mass292.18
IUPAC Name1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(3-ethylmorpholin-4-yl)ethanamine
SMILESCCC1COCCN1CC(N)c1ccc2c(c1)OCCO2
InChIInChI=1S/C16H24N2O3/c1-2-13-11-19-6-5-18(13)10-14(17)12-3-4-15-16(9-12)21-8-7-20-15/h3-4,9,13-14H,2,5-8,10-11,17H2,1H3
InChIKeyHQXGAHWLEBKJBT-UHFFFAOYSA-N
XLogP1.57
TPSA56.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(3-ethylmorpholin-4-yl)-1-phenylethanamine
CID 43613110
1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-morpholin-4-ylethanamine
CID 16788978
1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(oxetan-3-ylsulfanyl)ethanamine
CID 79332299
1-[2-amino-2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-N,N-dimethylpyrrolidin-3-amine
CID 63163944
1-(3,4-difluorophenyl)-2-(3-ethylmorpholin-4-yl)ethanol
CID 111382198
1-(3-ethylmorpholin-4-yl)-3-methoxypropan-2-amine
CID 81101741
1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-methylbutane-1,3-diamine
CID 116933523
(1S)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)hexan-1-amine
CID 28979698
2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethanamine
CID 115559534
1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(2-ethyl-5-methylpyrrolidin-1-yl)ethanol
CID 83135383
(1R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethane-1,2-diamine;hydrochloride
CID 171226605
1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(3,5-dimethylpyrazol-1-yl)ethanamine
CID 16643653

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(3-ethylmorpholin-4-yl)ethanamine?
The IUPAC name of 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(3-ethylmorpholin-4-yl)ethanamine (CID 43613115) is 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(3-ethylmorpholin-4-yl)ethanamine.
What is the SMILES notation for 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(3-ethylmorpholin-4-yl)ethanamine?
The canonical SMILES for 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(3-ethylmorpholin-4-yl)ethanamine is CCC1COCCN1CC(N)c1ccc2c(c1)OCCO2.
What is the InChIKey of 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(3-ethylmorpholin-4-yl)ethanamine?
The InChIKey is HQXGAHWLEBKJBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O3/c1-2-13-11-19-6-5-18(13)10-14(17)12-3-4-15-16(9-12)21-8-7-20-15/h3-4,9,13-14H,2,5-8,10-11,17H2,1H3.
What are the key properties of 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(3-ethylmorpholin-4-yl)ethanamine?
1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(3-ethylmorpholin-4-yl)ethanamine has a molecular weight of 292.38 g/mol, XLogP of 1.57, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(3-ethylmorpholin-4-yl)ethanamine is sourced from PubChem (CID 43613115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).