1-(2,3-dihydro-1,4-benzodioxin-3-yl)-N-ethyl-2-(oxan-4-yl)ethanamine

C17H25NO3 — CID 65351512

IUPAC1-(2,3-dihydro-1,4-benzodioxin-3-yl)-N-ethyl-2-(oxan-4-yl)ethanamine
SMILESCCNC(CC1CCOCC1)C1COc2ccccc2O1
InChIInChI=1S/C17H25NO3/c1-2-18-14(11-13-7-9-19-10-8-13)17-12-20-15-5-3-4-6-16(15)21-17/h3-6,13-14,17-18H,2,7-12H2,1H3
InChIKeyDIORAOSZENDYJJ-UHFFFAOYSA-N
MW291.39 g/mol
LogP2.62
Rot. Bonds5

About 1-(2,3-dihydro-1,4-benzodioxin-3-yl)-N-ethyl-2-(oxan-4-yl)ethanamine

1-(2,3-dihydro-1,4-benzodioxin-3-yl)-N-ethyl-2-(oxan-4-yl)ethanamine (PubChem CID 65351512) has the molecular formula C17H25NO3 and a molecular weight of 291.39 g/mol. Its IUPAC name is 1-(2,3-dihydro-1,4-benzodioxin-3-yl)-N-ethyl-2-(oxan-4-yl)ethanamine.

Molecular Properties

Compound Name1-(2,3-dihydro-1,4-benzodioxin-3-yl)-N-ethyl-2-(oxan-4-yl)ethanamine
PubChem CID65351512
Molecular FormulaC17H25NO3
Molecular Weight291.39 g/mol
Exact Mass291.18
IUPAC Name1-(2,3-dihydro-1,4-benzodioxin-3-yl)-N-ethyl-2-(oxan-4-yl)ethanamine
SMILESCCNC(CC1CCOCC1)C1COc2ccccc2O1
InChIInChI=1S/C17H25NO3/c1-2-18-14(11-13-7-9-19-10-8-13)17-12-20-15-5-3-4-6-16(15)21-17/h3-6,13-14,17-18H,2,7-12H2,1H3
InChIKeyDIORAOSZENDYJJ-UHFFFAOYSA-N
XLogP2.62
TPSA39.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.39
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2,3-dihydro-1,4-benzodioxin-3-yl)-2-(oxan-4-yl)ethanamine
CID 65352240
1-(2,3-dihydro-1,4-benzodioxin-3-yl)-N-methyl-1-(oxan-4-yl)methanamine
CID 65352612
1-(2,3-dihydro-1,4-benzodioxin-3-yl)-N-ethyl-4-methylsulfonylbutan-1-amine
CID 65351956
1-(2,3-dihydro-1,4-benzodioxin-3-yl)-N-ethyl-2-(1-methyltriazol-4-yl)ethanamine
CID 107049480
1-(2,3-dihydro-1,4-benzodioxin-3-yl)-N-ethyl-3-methylbut-2-en-1-amine
CID 79180267
1-(2,3-dihydro-1,4-benzodioxin-3-yl)-N-methylbutan-1-amine
CID 65352769
1-cyclopropyl-N-ethyl-2-(oxan-4-yl)ethanamine
CID 62600215
1-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-N-ethyl-2-(oxan-4-yl)ethanamine
CID 64984307
1-(2,3-dihydro-1,4-benzodioxin-3-yl)-N-ethyl-2-(1H-imidazol-2-yl)ethanamine
CID 43493380
1-(2,3-dihydro-1,4-benzodioxin-3-yl)-N-ethyl-2-methylprop-2-en-1-amine
CID 79180105
N,N'-bis[1-(2,3-dihydro-1,4-benzodioxin-3-yl)ethyl]ethane-1,2-diamine
CID 3051001
1-(2,3-dihydro-1,4-benzodioxin-3-yl)-N-propylbut-3-yn-1-amine
CID 65352058

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dihydro-1,4-benzodioxin-3-yl)-N-ethyl-2-(oxan-4-yl)ethanamine?
The IUPAC name of 1-(2,3-dihydro-1,4-benzodioxin-3-yl)-N-ethyl-2-(oxan-4-yl)ethanamine (CID 65351512) is 1-(2,3-dihydro-1,4-benzodioxin-3-yl)-N-ethyl-2-(oxan-4-yl)ethanamine.
What is the SMILES notation for 1-(2,3-dihydro-1,4-benzodioxin-3-yl)-N-ethyl-2-(oxan-4-yl)ethanamine?
The canonical SMILES for 1-(2,3-dihydro-1,4-benzodioxin-3-yl)-N-ethyl-2-(oxan-4-yl)ethanamine is CCNC(CC1CCOCC1)C1COc2ccccc2O1.
What is the InChIKey of 1-(2,3-dihydro-1,4-benzodioxin-3-yl)-N-ethyl-2-(oxan-4-yl)ethanamine?
The InChIKey is DIORAOSZENDYJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO3/c1-2-18-14(11-13-7-9-19-10-8-13)17-12-20-15-5-3-4-6-16(15)21-17/h3-6,13-14,17-18H,2,7-12H2,1H3.
What are the key properties of 1-(2,3-dihydro-1,4-benzodioxin-3-yl)-N-ethyl-2-(oxan-4-yl)ethanamine?
1-(2,3-dihydro-1,4-benzodioxin-3-yl)-N-ethyl-2-(oxan-4-yl)ethanamine has a molecular weight of 291.39 g/mol, XLogP of 2.62, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dihydro-1,4-benzodioxin-3-yl)-N-ethyl-2-(oxan-4-yl)ethanamine is sourced from PubChem (CID 65351512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).