(2R)-1-(2,3-dihydro-1,4-benzodioxin-6-ylamino)propan-2-ol

C11H15NO3 — CID 39242231

IUPAC(2R)-1-(2,3-dihydro-1,4-benzodioxin-6-ylamino)propan-2-ol
SMILESC[C@@H](O)CNc1ccc2c(c1)OCCO2
InChIInChI=1S/C11H15NO3/c1-8(13)7-12-9-2-3-10-11(6-9)15-5-4-14-10/h2-3,6,8,12-13H,4-5,7H2,1H3/t8-/m1/s1
InChIKeyGFLFIIKXBCSWQS-MRVPVSSYSA-N
MW209.24 g/mol
LogP1.25
Rot. Bonds3

About (2R)-1-(2,3-dihydro-1,4-benzodioxin-6-ylamino)propan-2-ol

(2R)-1-(2,3-dihydro-1,4-benzodioxin-6-ylamino)propan-2-ol (PubChem CID 39242231) has the molecular formula C11H15NO3 and a molecular weight of 209.24 g/mol. Its IUPAC name is (2R)-1-(2,3-dihydro-1,4-benzodioxin-6-ylamino)propan-2-ol.

Molecular Properties

Compound Name(2R)-1-(2,3-dihydro-1,4-benzodioxin-6-ylamino)propan-2-ol
PubChem CID39242231
Molecular FormulaC11H15NO3
Molecular Weight209.24 g/mol
Exact Mass209.11
IUPAC Name(2R)-1-(2,3-dihydro-1,4-benzodioxin-6-ylamino)propan-2-ol
SMILESC[C@@H](O)CNc1ccc2c(c1)OCCO2
InChIInChI=1S/C11H15NO3/c1-8(13)7-12-9-2-3-10-11(6-9)15-5-4-14-10/h2-3,6,8,12-13H,4-5,7H2,1H3/t8-/m1/s1
InChIKeyGFLFIIKXBCSWQS-MRVPVSSYSA-N
XLogP1.25
TPSA50.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.24
LogP ≤ 51.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

3-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-methylpropanenitrile
CID 43245373
methyl 3-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-methylpropanoate
CID 43538500
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(2-hydroxypropylamino)acetamide
CID 43389718
2-amino-3-(2,3-dihydro-1,4-benzodioxin-6-ylamino)propanamide
CID 103233841
1-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-3-(2-methoxyethoxy)propan-2-ol
CID 106989154
(2S)-1-(2,3-dihydro-1,4-benzodioxin-6-ylmethylamino)propan-2-ol
CID 29187822
4-[tert-butyl(dimethyl)silyl]oxy-1-(2,3-dihydro-1,4-benzodioxin-6-ylamino)butan-2-ol
CID 67134728
N-(2,6-dimethylheptan-4-yl)-2,3-dihydro-1,4-benzodioxin-6-amine
CID 29035143
N-(2-methylbutyl)-1,3-benzodioxol-5-amine
CID 43201672
N-(2-methylpropyl)-2,3-dihydro-1-benzofuran-5-amine
CID 43732657
2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-N-(1-methoxypropan-2-yl)acetamide
CID 60684179
1-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethylamino]propan-2-ol
CID 60884759

Frequently Asked Questions

What is the IUPAC name of (2R)-1-(2,3-dihydro-1,4-benzodioxin-6-ylamino)propan-2-ol?
The IUPAC name of (2R)-1-(2,3-dihydro-1,4-benzodioxin-6-ylamino)propan-2-ol (CID 39242231) is (2R)-1-(2,3-dihydro-1,4-benzodioxin-6-ylamino)propan-2-ol.
What is the SMILES notation for (2R)-1-(2,3-dihydro-1,4-benzodioxin-6-ylamino)propan-2-ol?
The canonical SMILES for (2R)-1-(2,3-dihydro-1,4-benzodioxin-6-ylamino)propan-2-ol is C[C@@H](O)CNc1ccc2c(c1)OCCO2.
What is the InChIKey of (2R)-1-(2,3-dihydro-1,4-benzodioxin-6-ylamino)propan-2-ol?
The InChIKey is GFLFIIKXBCSWQS-MRVPVSSYSA-N. The full InChI is InChI=1S/C11H15NO3/c1-8(13)7-12-9-2-3-10-11(6-9)15-5-4-14-10/h2-3,6,8,12-13H,4-5,7H2,1H3/t8-/m1/s1.
What are the key properties of (2R)-1-(2,3-dihydro-1,4-benzodioxin-6-ylamino)propan-2-ol?
(2R)-1-(2,3-dihydro-1,4-benzodioxin-6-ylamino)propan-2-ol has a molecular weight of 209.24 g/mol, XLogP of 1.25, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-(2,3-dihydro-1,4-benzodioxin-6-ylamino)propan-2-ol is sourced from PubChem (CID 39242231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).