1-(2,3-dihydro-1,4-benzodioxin-3-yl)-4-methylpent-4-en-1-amine

C14H19NO2 — CID 114474946

IUPAC1-(2,3-dihydro-1,4-benzodioxin-3-yl)-4-methylpent-4-en-1-amine
SMILESC=C(C)CCC(N)C1COc2ccccc2O1
InChIInChI=1S/C14H19NO2/c1-10(2)7-8-11(15)14-9-16-12-5-3-4-6-13(12)17-14/h3-6,11,14H,1,7-9,15H2,2H3
InChIKeyLQRUYNUJSNADMN-UHFFFAOYSA-N
MW233.31 g/mol
LogP2.51
Rot. Bonds4

About 1-(2,3-dihydro-1,4-benzodioxin-3-yl)-4-methylpent-4-en-1-amine

1-(2,3-dihydro-1,4-benzodioxin-3-yl)-4-methylpent-4-en-1-amine (PubChem CID 114474946) has the molecular formula C14H19NO2 and a molecular weight of 233.31 g/mol. Its IUPAC name is 1-(2,3-dihydro-1,4-benzodioxin-3-yl)-4-methylpent-4-en-1-amine.

Molecular Properties

Compound Name1-(2,3-dihydro-1,4-benzodioxin-3-yl)-4-methylpent-4-en-1-amine
PubChem CID114474946
Molecular FormulaC14H19NO2
Molecular Weight233.31 g/mol
Exact Mass233.14
IUPAC Name1-(2,3-dihydro-1,4-benzodioxin-3-yl)-4-methylpent-4-en-1-amine
SMILESC=C(C)CCC(N)C1COc2ccccc2O1
InChIInChI=1S/C14H19NO2/c1-10(2)7-8-11(15)14-9-16-12-5-3-4-6-13(12)17-14/h3-6,11,14H,1,7-9,15H2,2H3
InChIKeyLQRUYNUJSNADMN-UHFFFAOYSA-N
XLogP2.51
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 52.51
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-benzofuran-3-yl)-4-methylpent-4-en-1-amine
CID 114475780
1-(2,3-dihydro-1,4-benzodioxin-3-yl)pent-4-yn-1-amine
CID 65352505
1-(2,3-dihydro-1,4-benzodioxin-3-yl)-4,4,4-trifluorobutan-1-amine
CID 65352554
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)-3-(2-methylpyrazol-3-yl)propan-1-amine
CID 103010593
1-(2,3-dihydro-1,4-benzodioxin-3-yl)-2-(3,5-dimethylphenyl)ethanamine
CID 65352448
1-(2,3-dihydro-1,4-benzodioxin-3-yl)-2-(oxan-4-yl)ethanamine
CID 65352240
(1R)-2-amino-1-[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]ethanol
CID 22819017
(1R)-1-[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]-2-pyridin-4-ylethanamine
CID 124513819
2-(2,6-difluorophenyl)-1-(2,3-dihydro-1,4-benzodioxin-3-yl)ethanamine
CID 114932131
1-(2,3-dihydro-1,4-benzodioxin-3-yl)-2-(furan-2-yl)ethanamine
CID 83174856
1-(2,3-dihydro-1-benzofuran-2-yl)-4-methyl-N-propylpent-4-en-1-amine
CID 114475790

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dihydro-1,4-benzodioxin-3-yl)-4-methylpent-4-en-1-amine?
The IUPAC name of 1-(2,3-dihydro-1,4-benzodioxin-3-yl)-4-methylpent-4-en-1-amine (CID 114474946) is 1-(2,3-dihydro-1,4-benzodioxin-3-yl)-4-methylpent-4-en-1-amine.
What is the SMILES notation for 1-(2,3-dihydro-1,4-benzodioxin-3-yl)-4-methylpent-4-en-1-amine?
The canonical SMILES for 1-(2,3-dihydro-1,4-benzodioxin-3-yl)-4-methylpent-4-en-1-amine is C=C(C)CCC(N)C1COc2ccccc2O1.
What is the InChIKey of 1-(2,3-dihydro-1,4-benzodioxin-3-yl)-4-methylpent-4-en-1-amine?
The InChIKey is LQRUYNUJSNADMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO2/c1-10(2)7-8-11(15)14-9-16-12-5-3-4-6-13(12)17-14/h3-6,11,14H,1,7-9,15H2,2H3.
What are the key properties of 1-(2,3-dihydro-1,4-benzodioxin-3-yl)-4-methylpent-4-en-1-amine?
1-(2,3-dihydro-1,4-benzodioxin-3-yl)-4-methylpent-4-en-1-amine has a molecular weight of 233.31 g/mol, XLogP of 2.51, 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-3-yl)-4-methylpent-4-en-1-amine is sourced from PubChem (CID 114474946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).