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

C15H20N4O2 — CID 107049480

IUPAC1-(2,3-dihydro-1,4-benzodioxin-3-yl)-N-ethyl-2-(1-methyltriazol-4-yl)ethanamine
SMILESCCNC(Cc1cn(C)nn1)C1COc2ccccc2O1
InChIInChI=1S/C15H20N4O2/c1-3-16-12(8-11-9-19(2)18-17-11)15-10-20-13-6-4-5-7-14(13)21-15/h4-7,9,12,15-16H,3,8,10H2,1-2H3
InChIKeyKTLFTCSHISCNEB-UHFFFAOYSA-N
MW288.35 g/mol
LogP1.18
Rot. Bonds5

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

1-(2,3-dihydro-1,4-benzodioxin-3-yl)-N-ethyl-2-(1-methyltriazol-4-yl)ethanamine (PubChem CID 107049480) has the molecular formula C15H20N4O2 and a molecular weight of 288.35 g/mol. Its IUPAC name is 1-(2,3-dihydro-1,4-benzodioxin-3-yl)-N-ethyl-2-(1-methyltriazol-4-yl)ethanamine.

Molecular Properties

Compound Name1-(2,3-dihydro-1,4-benzodioxin-3-yl)-N-ethyl-2-(1-methyltriazol-4-yl)ethanamine
PubChem CID107049480
Molecular FormulaC15H20N4O2
Molecular Weight288.35 g/mol
Exact Mass288.16
IUPAC Name1-(2,3-dihydro-1,4-benzodioxin-3-yl)-N-ethyl-2-(1-methyltriazol-4-yl)ethanamine
SMILESCCNC(Cc1cn(C)nn1)C1COc2ccccc2O1
InChIInChI=1S/C15H20N4O2/c1-3-16-12(8-11-9-19(2)18-17-11)15-10-20-13-6-4-5-7-14(13)21-15/h4-7,9,12,15-16H,3,8,10H2,1-2H3
InChIKeyKTLFTCSHISCNEB-UHFFFAOYSA-N
XLogP1.18
TPSA61.20 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.35
LogP ≤ 51.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-(2,3-dihydro-1-benzofuran-3-yl)-N-methyl-2-(1-methyltriazol-4-yl)ethanamine
CID 107050737
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-(oxan-4-yl)ethanamine
CID 65351512
N-ethyl-2-(1-methyltriazol-4-yl)-1-(1,4-oxathian-2-yl)ethanamine
CID 107050253
1-(2,3-dihydro-1,4-benzodioxin-3-yl)-N-ethyl-4-methylsulfonylbutan-1-amine
CID 65351956
1-(2,3-dihydro-1-benzothiophen-3-yl)-N-ethyl-2-(1-methyltriazol-4-yl)ethanamine
CID 107064143
1-(4,4-dimethylcyclohexyl)-N-ethyl-2-(1-methyltriazol-4-yl)ethanamine
CID 107049504
1-(2,3-dihydro-1,4-benzodioxin-3-yl)-N-methylbutan-1-amine
CID 65352769
1-(2,3-dihydro-1,4-benzodioxin-3-yl)-N-ethyl-2-methylprop-2-en-1-amine
CID 79180105
[1-(2,3-dihydro-1,4-benzodioxin-3-yl)-2-(1-ethylpyrazol-4-yl)ethyl]hydrazine
CID 105230174
1-(2,3-dihydro-1,4-benzodioxin-3-yl)-N-ethyl-3-methylbut-2-en-1-amine
CID 79180267
N-[2-(1-methyltriazol-4-yl)-1-(oxan-2-yl)ethyl]propan-1-amine
CID 107064615

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dihydro-1,4-benzodioxin-3-yl)-N-ethyl-2-(1-methyltriazol-4-yl)ethanamine?
The IUPAC name of 1-(2,3-dihydro-1,4-benzodioxin-3-yl)-N-ethyl-2-(1-methyltriazol-4-yl)ethanamine (CID 107049480) is 1-(2,3-dihydro-1,4-benzodioxin-3-yl)-N-ethyl-2-(1-methyltriazol-4-yl)ethanamine.
What is the SMILES notation for 1-(2,3-dihydro-1,4-benzodioxin-3-yl)-N-ethyl-2-(1-methyltriazol-4-yl)ethanamine?
The canonical SMILES for 1-(2,3-dihydro-1,4-benzodioxin-3-yl)-N-ethyl-2-(1-methyltriazol-4-yl)ethanamine is CCNC(Cc1cn(C)nn1)C1COc2ccccc2O1.
What is the InChIKey of 1-(2,3-dihydro-1,4-benzodioxin-3-yl)-N-ethyl-2-(1-methyltriazol-4-yl)ethanamine?
The InChIKey is KTLFTCSHISCNEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O2/c1-3-16-12(8-11-9-19(2)18-17-11)15-10-20-13-6-4-5-7-14(13)21-15/h4-7,9,12,15-16H,3,8,10H2,1-2H3.
What are the key properties of 1-(2,3-dihydro-1,4-benzodioxin-3-yl)-N-ethyl-2-(1-methyltriazol-4-yl)ethanamine?
1-(2,3-dihydro-1,4-benzodioxin-3-yl)-N-ethyl-2-(1-methyltriazol-4-yl)ethanamine has a molecular weight of 288.35 g/mol, XLogP of 1.18, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dihydro-1,4-benzodioxin-3-yl)-N-ethyl-2-(1-methyltriazol-4-yl)ethanamine is sourced from PubChem (CID 107049480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).