[(1R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]azanium

C10H14NO2+ — CID 7047685

IUPAC[(1R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]azanium
SMILESC[C@@H]([NH3+])c1ccc2c(c1)OCCO2
InChIInChI=1S/C10H13NO2/c1-7(11)8-2-3-9-10(6-8)13-5-4-12-9/h2-3,6-7H,4-5,11H2,1H3/p+1/t7-/m1/s1
InChIKeyABUSRLBOAUOYSM-SSDOTTSWSA-O
MW180.23 g/mol
LogP0.76
Rot. Bonds1

About [(1R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]azanium

[(1R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]azanium (PubChem CID 7047685) has the molecular formula C10H14NO2+ and a molecular weight of 180.23 g/mol. Its IUPAC name is [(1R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]azanium.

Molecular Properties

Compound Name[(1R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]azanium
PubChem CID7047685
Molecular FormulaC10H14NO2+
Molecular Weight180.23 g/mol
Exact Mass180.10
IUPAC Name[(1R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]azanium
SMILESC[C@@H]([NH3+])c1ccc2c(c1)OCCO2
InChIInChI=1S/C10H13NO2/c1-7(11)8-2-3-9-10(6-8)13-5-4-12-9/h2-3,6-7H,4-5,11H2,1H3/p+1/t7-/m1/s1
InChIKeyABUSRLBOAUOYSM-SSDOTTSWSA-O
XLogP0.76
TPSA46.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.23
LogP ≤ 50.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

6-propan-2-yl-2,3-dihydro-1,4-benzodioxine
CID 22951095
azane;methane;6-propan-2-yl-2,3-dihydro-1,4-benzodioxine
CID 159540292
2-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-methylpentan-3-amine
CID 79298713
[(1S)-1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-methylpropyl]azanium
CID 7129415
6-[(2S)-butan-2-yl]-2,3-dihydro-1,4-benzodioxine
CID 89291173
6-(3-chlorobutan-2-yl)-2,3-dihydro-1,4-benzodioxine
CID 66470243
6-(4-bromopentan-2-yl)-2,3-dihydro-1,4-benzodioxine
CID 64720151
bis(2,3-dihydro-1,4-benzodioxin-6-yl)methanol
CID 69205409
3-(2,3-dihydro-1,4-benzodioxin-6-yl)butan-1-ol
CID 82077632
14-(1-methoxyethyl)-2,5,8,11-tetraoxabicyclo[10.4.0]hexadeca-1(12),13,15-triene
CID 101134725
2-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]propane-1,3-diamine
CID 83922116
1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-ethylpropan-1-amine
CID 43490454

Frequently Asked Questions

What is the IUPAC name of [(1R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]azanium?
The IUPAC name of [(1R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]azanium (CID 7047685) is [(1R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]azanium.
What is the SMILES notation for [(1R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]azanium?
The canonical SMILES for [(1R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]azanium is C[C@@H]([NH3+])c1ccc2c(c1)OCCO2.
What is the InChIKey of [(1R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]azanium?
The InChIKey is ABUSRLBOAUOYSM-SSDOTTSWSA-O. The full InChI is InChI=1S/C10H13NO2/c1-7(11)8-2-3-9-10(6-8)13-5-4-12-9/h2-3,6-7H,4-5,11H2,1H3/p+1/t7-/m1/s1.
What are the key properties of [(1R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]azanium?
[(1R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]azanium has a molecular weight of 180.23 g/mol, XLogP of 0.76, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]azanium is sourced from PubChem (CID 7047685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).