(1R)-2-amino-1-[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]ethanol

C10H13NO3 — CID 22819017

IUPAC(1R)-2-amino-1-[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]ethanol
SMILESNC[C@@H](O)[C@H]1COc2ccccc2O1
InChIInChI=1S/C10H13NO3/c11-5-7(12)10-6-13-8-3-1-2-4-9(8)14-10/h1-4,7,10,12H,5-6,11H2/t7-,10-/m1/s1
InChIKeyJBVKWCMJQRCLHL-GMSGAONNSA-N
MW195.22 g/mol
LogP0.15
Rot. Bonds2

About (1R)-2-amino-1-[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]ethanol

(1R)-2-amino-1-[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]ethanol (PubChem CID 22819017) has the molecular formula C10H13NO3 and a molecular weight of 195.22 g/mol. Its IUPAC name is (1R)-2-amino-1-[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]ethanol.

Molecular Properties

Compound Name(1R)-2-amino-1-[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]ethanol
PubChem CID22819017
Molecular FormulaC10H13NO3
Molecular Weight195.22 g/mol
Exact Mass195.09
IUPAC Name(1R)-2-amino-1-[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]ethanol
SMILESNC[C@@H](O)[C@H]1COc2ccccc2O1
InChIInChI=1S/C10H13NO3/c11-5-7(12)10-6-13-8-3-1-2-4-9(8)14-10/h1-4,7,10,12H,5-6,11H2/t7-,10-/m1/s1
InChIKeyJBVKWCMJQRCLHL-GMSGAONNSA-N
XLogP0.15
TPSA64.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.22
LogP ≤ 50.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2,3-dihydro-1,4-benzodioxin-3-yl)-2-[[2-(2,3-dihydro-1,4-benzodioxin-3-yl)-2-hydroxyethyl]amino]ethanol
CID 12855736
1-(2,3-dihydro-1,4-benzodioxin-3-yl)-3-methylbutan-1-ol
CID 65351243
1-(2,3-dihydro-1,4-benzodioxin-3-yl)but-3-en-1-ol
CID 65350923
2-cyclohexyl-1-(2,3-dihydro-1,4-benzodioxin-3-yl)ethanol
CID 65351028
1-(2,3-dihydro-1,4-benzodioxin-3-yl)-2-(2-hydroxyethylamino)ethanol
CID 26138
3-[[2-(2,3-dihydro-1,4-benzodioxin-3-yl)-2-hydroxyethyl]amino]propan-1-ol
CID 26139
(1R)-2-(butylamino)-1-[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]ethanol
CID 125480076
1-(2,3-dihydro-1,4-benzodioxin-3-yl)-2-methylpentan-1-ol
CID 114013464
2,3-dihydro-1,4-benzodioxin-3-yl(phenyl)methanamine
CID 15193417
2-(3-chlorophenyl)sulfanyl-1-(2,3-dihydro-1,4-benzodioxin-3-yl)ethanol
CID 66146675
3-(1-chloroethyl)-2,3-dihydro-1,4-benzodioxine
CID 91622126
[1-(2,3-dihydro-1,4-benzodioxin-3-yl)-2-methylbutyl]hydrazine
CID 105230267

Frequently Asked Questions

What is the IUPAC name of (1R)-2-amino-1-[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]ethanol?
The IUPAC name of (1R)-2-amino-1-[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]ethanol (CID 22819017) is (1R)-2-amino-1-[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]ethanol.
What is the SMILES notation for (1R)-2-amino-1-[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]ethanol?
The canonical SMILES for (1R)-2-amino-1-[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]ethanol is NC[C@@H](O)[C@H]1COc2ccccc2O1.
What is the InChIKey of (1R)-2-amino-1-[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]ethanol?
The InChIKey is JBVKWCMJQRCLHL-GMSGAONNSA-N. The full InChI is InChI=1S/C10H13NO3/c11-5-7(12)10-6-13-8-3-1-2-4-9(8)14-10/h1-4,7,10,12H,5-6,11H2/t7-,10-/m1/s1.
What are the key properties of (1R)-2-amino-1-[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]ethanol?
(1R)-2-amino-1-[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]ethanol has a molecular weight of 195.22 g/mol, XLogP of 0.15, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-2-amino-1-[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]ethanol is sourced from PubChem (CID 22819017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).