1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-ethyl-2-(oxolan-3-yloxy)ethanamine

C16H23NO4 — CID 63558021

IUPAC1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-ethyl-2-(oxolan-3-yloxy)ethanamine
SMILESCCNC(COC1CCOC1)c1ccc2c(c1)OCCO2
InChIInChI=1S/C16H23NO4/c1-2-17-14(11-21-13-5-6-18-10-13)12-3-4-15-16(9-12)20-8-7-19-15/h3-4,9,13-14,17H,2,5-8,10-11H2,1H3
InChIKeyRHROPROOBAGQDG-UHFFFAOYSA-N
MW293.36 g/mol
LogP1.91
Rot. Bonds6

About 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-ethyl-2-(oxolan-3-yloxy)ethanamine

1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-ethyl-2-(oxolan-3-yloxy)ethanamine (PubChem CID 63558021) has the molecular formula C16H23NO4 and a molecular weight of 293.36 g/mol. Its IUPAC name is 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-ethyl-2-(oxolan-3-yloxy)ethanamine.

Molecular Properties

Compound Name1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-ethyl-2-(oxolan-3-yloxy)ethanamine
PubChem CID63558021
Molecular FormulaC16H23NO4
Molecular Weight293.36 g/mol
Exact Mass293.16
IUPAC Name1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-ethyl-2-(oxolan-3-yloxy)ethanamine
SMILESCCNC(COC1CCOC1)c1ccc2c(c1)OCCO2
InChIInChI=1S/C16H23NO4/c1-2-17-14(11-21-13-5-6-18-10-13)12-3-4-15-16(9-12)20-8-7-19-15/h3-4,9,13-14,17H,2,5-8,10-11H2,1H3
InChIKeyRHROPROOBAGQDG-UHFFFAOYSA-N
XLogP1.91
TPSA48.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.36
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-cyclobutyloxy-1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-N-ethylethanamine
CID 62116838
N-ethyl-1-(4-methoxyphenyl)-2-(oxolan-3-yloxy)ethanamine
CID 63557627
N-ethyl-1-(3-methylphenyl)-2-(oxolan-3-yloxy)ethanamine
CID 55218952
1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-N-ethyl-2-(oxolan-3-yl)ethanamine
CID 103987161
1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-ethylpropan-1-amine
CID 43490454
1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-(oxolan-3-yloxy)ethanol
CID 63558085
1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-ethyloctan-1-amine
CID 43490459
(3R)-3-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(ethylamino)propan-1-ol
CID 97031545
1-(4-ethoxyphenyl)-N-ethyl-2-(oxetan-3-yloxy)ethanamine
CID 102606061
N-[cyclopropyl(2,3-dihydro-1,4-benzodioxin-6-yl)methyl]ethanamine
CID 43490475
1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N,N',N'-triethylpropane-1,3-diamine
CID 79094602
1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-N-ethyl-4-methoxy-3-methylbutan-1-amine
CID 105143343

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-ethyl-2-(oxolan-3-yloxy)ethanamine?
The IUPAC name of 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-ethyl-2-(oxolan-3-yloxy)ethanamine (CID 63558021) is 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-ethyl-2-(oxolan-3-yloxy)ethanamine.
What is the SMILES notation for 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-ethyl-2-(oxolan-3-yloxy)ethanamine?
The canonical SMILES for 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-ethyl-2-(oxolan-3-yloxy)ethanamine is CCNC(COC1CCOC1)c1ccc2c(c1)OCCO2.
What is the InChIKey of 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-ethyl-2-(oxolan-3-yloxy)ethanamine?
The InChIKey is RHROPROOBAGQDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO4/c1-2-17-14(11-21-13-5-6-18-10-13)12-3-4-15-16(9-12)20-8-7-19-15/h3-4,9,13-14,17H,2,5-8,10-11H2,1H3.
What are the key properties of 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-ethyl-2-(oxolan-3-yloxy)ethanamine?
1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-ethyl-2-(oxolan-3-yloxy)ethanamine has a molecular weight of 293.36 g/mol, XLogP of 1.91, 6 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)-N-ethyl-2-(oxolan-3-yloxy)ethanamine is sourced from PubChem (CID 63558021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).