2-(2,6-difluorophenyl)-1-(2,3-dihydro-1,4-benzodioxin-3-yl)ethanamine

C16H15F2NO2 — CID 114932131

IUPAC2-(2,6-difluorophenyl)-1-(2,3-dihydro-1,4-benzodioxin-3-yl)ethanamine
SMILESNC(Cc1c(F)cccc1F)C1COc2ccccc2O1
InChIInChI=1S/C16H15F2NO2/c17-11-4-3-5-12(18)10(11)8-13(19)16-9-20-14-6-1-2-7-15(14)21-16/h1-7,13,16H,8-9,19H2
InChIKeyHZZCACPEEYPLTO-UHFFFAOYSA-N
MW291.30 g/mol
LogP2.67
Rot. Bonds3

About 2-(2,6-difluorophenyl)-1-(2,3-dihydro-1,4-benzodioxin-3-yl)ethanamine

2-(2,6-difluorophenyl)-1-(2,3-dihydro-1,4-benzodioxin-3-yl)ethanamine (PubChem CID 114932131) has the molecular formula C16H15F2NO2 and a molecular weight of 291.30 g/mol. Its IUPAC name is 2-(2,6-difluorophenyl)-1-(2,3-dihydro-1,4-benzodioxin-3-yl)ethanamine.

Molecular Properties

Compound Name2-(2,6-difluorophenyl)-1-(2,3-dihydro-1,4-benzodioxin-3-yl)ethanamine
PubChem CID114932131
Molecular FormulaC16H15F2NO2
Molecular Weight291.30 g/mol
Exact Mass291.11
IUPAC Name2-(2,6-difluorophenyl)-1-(2,3-dihydro-1,4-benzodioxin-3-yl)ethanamine
SMILESNC(Cc1c(F)cccc1F)C1COc2ccccc2O1
InChIInChI=1S/C16H15F2NO2/c17-11-4-3-5-12(18)10(11)8-13(19)16-9-20-14-6-1-2-7-15(14)21-16/h1-7,13,16H,8-9,19H2
InChIKeyHZZCACPEEYPLTO-UHFFFAOYSA-N
XLogP2.67
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.30
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-bromo-4-fluorophenyl)-1-(2,3-dihydro-1,4-benzodioxin-3-yl)ethanamine
CID 65352808
(1R)-1-[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]-2-pyridin-4-ylethanamine
CID 124513819
1-(2,3-dihydro-1,4-benzodioxin-3-yl)-2-(furan-2-yl)ethanamine
CID 83174856
2-(3-bromo-5-fluorophenyl)-1-(2,3-dihydro-1,4-benzodioxin-3-yl)ethanamine
CID 79700034
1-(2,3-dihydro-1,4-benzodioxin-3-yl)-4,4,4-trifluorobutan-1-amine
CID 65352554
(1R)-1-[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]-2-pyridin-2-ylethanamine
CID 124513814
1-(2,3-dihydro-1,4-benzodioxin-3-yl)-2-(3,5-dimethylphenyl)ethanamine
CID 65352448
[(2,6-difluorophenyl)-(2,3-dihydro-1,4-benzodioxin-3-yl)methyl]hydrazine
CID 105230172
1-(2,3-dihydro-1,4-benzodioxin-3-yl)-2-(1,3-thiazol-2-yl)ethanamine
CID 79823829
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)-2-(oxan-4-yl)ethanamine
CID 65352240
1-(2,3-dihydro-1,4-benzodioxin-3-yl)-2-(1-propan-2-ylpyrazol-3-yl)ethanamine
CID 65352402

Frequently Asked Questions

What is the IUPAC name of 2-(2,6-difluorophenyl)-1-(2,3-dihydro-1,4-benzodioxin-3-yl)ethanamine?
The IUPAC name of 2-(2,6-difluorophenyl)-1-(2,3-dihydro-1,4-benzodioxin-3-yl)ethanamine (CID 114932131) is 2-(2,6-difluorophenyl)-1-(2,3-dihydro-1,4-benzodioxin-3-yl)ethanamine.
What is the SMILES notation for 2-(2,6-difluorophenyl)-1-(2,3-dihydro-1,4-benzodioxin-3-yl)ethanamine?
The canonical SMILES for 2-(2,6-difluorophenyl)-1-(2,3-dihydro-1,4-benzodioxin-3-yl)ethanamine is NC(Cc1c(F)cccc1F)C1COc2ccccc2O1.
What is the InChIKey of 2-(2,6-difluorophenyl)-1-(2,3-dihydro-1,4-benzodioxin-3-yl)ethanamine?
The InChIKey is HZZCACPEEYPLTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15F2NO2/c17-11-4-3-5-12(18)10(11)8-13(19)16-9-20-14-6-1-2-7-15(14)21-16/h1-7,13,16H,8-9,19H2.
What are the key properties of 2-(2,6-difluorophenyl)-1-(2,3-dihydro-1,4-benzodioxin-3-yl)ethanamine?
2-(2,6-difluorophenyl)-1-(2,3-dihydro-1,4-benzodioxin-3-yl)ethanamine has a molecular weight of 291.30 g/mol, XLogP of 2.67, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,6-difluorophenyl)-1-(2,3-dihydro-1,4-benzodioxin-3-yl)ethanamine is sourced from PubChem (CID 114932131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).