1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-ethyl-3-methylbut-2-en-1-amine

C15H21NO2 — CID 105004728

IUPAC1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-ethyl-3-methylbut-2-en-1-amine
SMILESCCNC(C=C(C)C)c1ccc2c(c1)OCCO2
InChIInChI=1S/C15H21NO2/c1-4-16-13(9-11(2)3)12-5-6-14-15(10-12)18-8-7-17-14/h5-6,9-10,13,16H,4,7-8H2,1-3H3
InChIKeyVAZSPKLEVXZCDR-UHFFFAOYSA-N
MW247.34 g/mol
LogP3.07
Rot. Bonds4

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

1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-ethyl-3-methylbut-2-en-1-amine (PubChem CID 105004728) has the molecular formula C15H21NO2 and a molecular weight of 247.34 g/mol. Its IUPAC name is 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-ethyl-3-methylbut-2-en-1-amine.

Molecular Properties

Compound Name1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-ethyl-3-methylbut-2-en-1-amine
PubChem CID105004728
Molecular FormulaC15H21NO2
Molecular Weight247.34 g/mol
Exact Mass247.16
IUPAC Name1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-ethyl-3-methylbut-2-en-1-amine
SMILESCCNC(C=C(C)C)c1ccc2c(c1)OCCO2
InChIInChI=1S/C15H21NO2/c1-4-16-13(9-11(2)3)12-5-6-14-15(10-12)18-8-7-17-14/h5-6,9-10,13,16H,4,7-8H2,1-3H3
InChIKeyVAZSPKLEVXZCDR-UHFFFAOYSA-N
XLogP3.07
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-ethylpropan-1-amine
CID 43490454
(3R)-3-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(ethylamino)propan-1-ol
CID 97031545
N-[cyclopropyl(2,3-dihydro-1,4-benzodioxin-6-yl)methyl]ethanamine
CID 43490475
1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-ethyloctan-1-amine
CID 43490459
N-[cycloheptyl(2,3-dihydro-1,4-benzodioxin-6-yl)methyl]ethanamine
CID 62587740
1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N,N',N'-triethylpropane-1,3-diamine
CID 79094602
N-[2,3-dihydro-1,4-benzodioxin-6-yl(pyrimidin-5-yl)methyl]ethanamine
CID 115827350
3-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(ethylamino)ethyl]sulfanylbutan-2-ol
CID 107772568
N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-3-(ethylamino)butanamide
CID 62838470
N-[(4-bromothiophen-3-yl)-(2,3-dihydro-1,4-benzodioxin-6-yl)methyl]ethanamine
CID 105010722
1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-N,2-diethylbutan-1-amine
CID 43489566
1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-ethoxy-N-ethyl-2-methylpropan-1-amine
CID 116726886

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-ethyl-3-methylbut-2-en-1-amine?
The IUPAC name of 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-ethyl-3-methylbut-2-en-1-amine (CID 105004728) is 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-ethyl-3-methylbut-2-en-1-amine.
What is the SMILES notation for 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-ethyl-3-methylbut-2-en-1-amine?
The canonical SMILES for 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-ethyl-3-methylbut-2-en-1-amine is CCNC(C=C(C)C)c1ccc2c(c1)OCCO2.
What is the InChIKey of 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-ethyl-3-methylbut-2-en-1-amine?
The InChIKey is VAZSPKLEVXZCDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO2/c1-4-16-13(9-11(2)3)12-5-6-14-15(10-12)18-8-7-17-14/h5-6,9-10,13,16H,4,7-8H2,1-3H3.
What are the key properties of 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-ethyl-3-methylbut-2-en-1-amine?
1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-ethyl-3-methylbut-2-en-1-amine has a molecular weight of 247.34 g/mol, XLogP of 3.07, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-ethyl-3-methylbut-2-en-1-amine is sourced from PubChem (CID 105004728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).