1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N,N',N'-triethylpropane-1,3-diamine

C17H28N2O2 — CID 79094602

IUPAC1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N,N',N'-triethylpropane-1,3-diamine
SMILESCCNC(CCN(CC)CC)c1ccc2c(c1)OCCO2
InChIInChI=1S/C17H28N2O2/c1-4-18-15(9-10-19(5-2)6-3)14-7-8-16-17(13-14)21-12-11-20-16/h7-8,13,15,18H,4-6,9-12H2,1-3H3
InChIKeyXZHLWFOUFIBCRI-UHFFFAOYSA-N
MW292.42 g/mol
LogP2.84
Rot. Bonds8

About 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N,N',N'-triethylpropane-1,3-diamine

1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N,N',N'-triethylpropane-1,3-diamine (PubChem CID 79094602) has the molecular formula C17H28N2O2 and a molecular weight of 292.42 g/mol. Its IUPAC name is 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N,N',N'-triethylpropane-1,3-diamine.

Molecular Properties

Compound Name1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N,N',N'-triethylpropane-1,3-diamine
PubChem CID79094602
Molecular FormulaC17H28N2O2
Molecular Weight292.42 g/mol
Exact Mass292.22
IUPAC Name1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N,N',N'-triethylpropane-1,3-diamine
SMILESCCNC(CCN(CC)CC)c1ccc2c(c1)OCCO2
InChIInChI=1S/C17H28N2O2/c1-4-18-15(9-10-19(5-2)6-3)14-7-8-16-17(13-14)21-12-11-20-16/h7-8,13,15,18H,4-6,9-12H2,1-3H3
InChIKeyXZHLWFOUFIBCRI-UHFFFAOYSA-N
XLogP2.84
TPSA33.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.42
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3R)-3-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(ethylamino)propan-1-ol
CID 97031545
1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-ethylpropan-1-amine
CID 43490454
1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-ethyloctan-1-amine
CID 43490459
1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-3-ethoxy-N-ethylpropan-1-amine
CID 105143404
1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-ethyl-3-thiophen-2-ylpropan-1-amine
CID 115860962
2-tert-butylsulfinyl-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-ethylethanamine
CID 64652140
2-butan-2-ylsulfanyl-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-ethylethanamine
CID 64613831
1-(2,3-dihydro-1-benzofuran-5-yl)-N-ethyl-N',N'-dimethylpropane-1,3-diamine
CID 113425129
1-(4-ethoxyphenyl)-N,N',N'-triethylpropane-1,3-diamine
CID 79087914
1-(4-cyclobutylphenyl)-N,N',N'-triethylpropane-1,3-diamine
CID 116506277
N,N',N'-triethyl-1-(3-fluorophenyl)propane-1,3-diamine
CID 62644081
N,N',N'-triethyl-1-(4-propan-2-yloxyphenyl)propane-1,3-diamine
CID 79094593

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N,N',N'-triethylpropane-1,3-diamine?
The IUPAC name of 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N,N',N'-triethylpropane-1,3-diamine (CID 79094602) is 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N,N',N'-triethylpropane-1,3-diamine.
What is the SMILES notation for 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N,N',N'-triethylpropane-1,3-diamine?
The canonical SMILES for 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N,N',N'-triethylpropane-1,3-diamine is CCNC(CCN(CC)CC)c1ccc2c(c1)OCCO2.
What is the InChIKey of 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N,N',N'-triethylpropane-1,3-diamine?
The InChIKey is XZHLWFOUFIBCRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O2/c1-4-18-15(9-10-19(5-2)6-3)14-7-8-16-17(13-14)21-12-11-20-16/h7-8,13,15,18H,4-6,9-12H2,1-3H3.
What are the key properties of 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N,N',N'-triethylpropane-1,3-diamine?
1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N,N',N'-triethylpropane-1,3-diamine has a molecular weight of 292.42 g/mol, XLogP of 2.84, 8 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)-N,N',N'-triethylpropane-1,3-diamine is sourced from PubChem (CID 79094602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).