1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-ethoxy-2-ethyl-N-methylbutan-1-amine

C17H27NO3 — CID 116759960

IUPAC1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-ethoxy-2-ethyl-N-methylbutan-1-amine
SMILESCCOC(CC)(CC)C(NC)c1ccc2c(c1)OCCO2
InChIInChI=1S/C17H27NO3/c1-5-17(6-2,21-7-3)16(18-4)13-8-9-14-15(12-13)20-11-10-19-14/h8-9,12,16,18H,5-7,10-11H2,1-4H3
InChIKeyQLDYWIRCSNNVAU-UHFFFAOYSA-N
MW293.41 g/mol
LogP3.31
Rot. Bonds7

About 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-ethoxy-2-ethyl-N-methylbutan-1-amine

1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-ethoxy-2-ethyl-N-methylbutan-1-amine (PubChem CID 116759960) has the molecular formula C17H27NO3 and a molecular weight of 293.41 g/mol. Its IUPAC name is 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-ethoxy-2-ethyl-N-methylbutan-1-amine.

Molecular Properties

Compound Name1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-ethoxy-2-ethyl-N-methylbutan-1-amine
PubChem CID116759960
Molecular FormulaC17H27NO3
Molecular Weight293.41 g/mol
Exact Mass293.20
IUPAC Name1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-ethoxy-2-ethyl-N-methylbutan-1-amine
SMILESCCOC(CC)(CC)C(NC)c1ccc2c(c1)OCCO2
InChIInChI=1S/C17H27NO3/c1-5-17(6-2,21-7-3)16(18-4)13-8-9-14-15(12-13)20-11-10-19-14/h8-9,12,16,18H,5-7,10-11H2,1-4H3
InChIKeyQLDYWIRCSNNVAU-UHFFFAOYSA-N
XLogP3.31
TPSA39.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.41
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-ethyl-1-N,2-N,2-N-trimethylbutane-1,2-diamine
CID 79058631
1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-ethoxy-N-ethyl-2-methylpropan-1-amine
CID 116726886
3-(2,3-dihydro-1,4-benzodioxin-6-yl)-2,2-dimethyl-3-(methylamino)propanoic acid
CID 116953198
2-ethoxy-1-(3-ethoxyphenyl)-2-ethyl-N-methylbutan-1-amine
CID 116759943
1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-methoxy-N-methylpropan-1-amine
CID 55115956
1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(3-methylpentan-3-ylamino)ethanol
CID 103746683
3-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(methylamino)propan-1-ol
CID 64813643
(3R)-3-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(methylamino)propan-1-ol
CID 95445608
1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-methylnonan-1-amine
CID 65447633
1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-methyloctan-1-amine
CID 43483285
2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-methylhexan-3-amine
CID 83050377
2-[2,3-dihydro-1,4-benzodioxin-6-yl(methylamino)methyl]butanoic acid
CID 116959676

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-ethoxy-2-ethyl-N-methylbutan-1-amine?
The IUPAC name of 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-ethoxy-2-ethyl-N-methylbutan-1-amine (CID 116759960) is 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-ethoxy-2-ethyl-N-methylbutan-1-amine.
What is the SMILES notation for 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-ethoxy-2-ethyl-N-methylbutan-1-amine?
The canonical SMILES for 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-ethoxy-2-ethyl-N-methylbutan-1-amine is CCOC(CC)(CC)C(NC)c1ccc2c(c1)OCCO2.
What is the InChIKey of 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-ethoxy-2-ethyl-N-methylbutan-1-amine?
The InChIKey is QLDYWIRCSNNVAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO3/c1-5-17(6-2,21-7-3)16(18-4)13-8-9-14-15(12-13)20-11-10-19-14/h8-9,12,16,18H,5-7,10-11H2,1-4H3.
What are the key properties of 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-ethoxy-2-ethyl-N-methylbutan-1-amine?
1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-ethoxy-2-ethyl-N-methylbutan-1-amine has a molecular weight of 293.41 g/mol, XLogP of 3.31, 7 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-6-yl)-2-ethoxy-2-ethyl-N-methylbutan-1-amine is sourced from PubChem (CID 116759960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).