1-amino-2-(2,3-dihydro-1,4-benzodioxin-6-yl)-4,4-dimethylpentan-3-ol

C15H23NO3 — CID 65189565

IUPAC1-amino-2-(2,3-dihydro-1,4-benzodioxin-6-yl)-4,4-dimethylpentan-3-ol
SMILESCC(C)(C)C(O)C(CN)c1ccc2c(c1)OCCO2
InChIInChI=1S/C15H23NO3/c1-15(2,3)14(17)11(9-16)10-4-5-12-13(8-10)19-7-6-18-12/h4-5,8,11,14,17H,6-7,9,16H2,1-3H3
InChIKeyJVZLIVJAHJAVGX-UHFFFAOYSA-N
MW265.35 g/mol
LogP1.91
Rot. Bonds3

About 1-amino-2-(2,3-dihydro-1,4-benzodioxin-6-yl)-4,4-dimethylpentan-3-ol

1-amino-2-(2,3-dihydro-1,4-benzodioxin-6-yl)-4,4-dimethylpentan-3-ol (PubChem CID 65189565) has the molecular formula C15H23NO3 and a molecular weight of 265.35 g/mol. Its IUPAC name is 1-amino-2-(2,3-dihydro-1,4-benzodioxin-6-yl)-4,4-dimethylpentan-3-ol.

Molecular Properties

Compound Name1-amino-2-(2,3-dihydro-1,4-benzodioxin-6-yl)-4,4-dimethylpentan-3-ol
PubChem CID65189565
Molecular FormulaC15H23NO3
Molecular Weight265.35 g/mol
Exact Mass265.17
IUPAC Name1-amino-2-(2,3-dihydro-1,4-benzodioxin-6-yl)-4,4-dimethylpentan-3-ol
SMILESCC(C)(C)C(O)C(CN)c1ccc2c(c1)OCCO2
InChIInChI=1S/C15H23NO3/c1-15(2,3)14(17)11(9-16)10-4-5-12-13(8-10)19-7-6-18-12/h4-5,8,11,14,17H,6-7,9,16H2,1-3H3
InChIKeyJVZLIVJAHJAVGX-UHFFFAOYSA-N
XLogP1.91
TPSA64.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.35
LogP ≤ 51.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-amino-2-(2,3-dihydro-1,4-benzodioxin-6-yl)hexan-3-ol
CID 65189758
3-amino-2-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-phenylpropan-1-ol
CID 65189468
(1R)-2-amino-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethanol
CID 7300390
3-amino-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-pyridin-4-ylpropan-1-ol
CID 80525401
1-amino-3-(2,3-dihydro-1,4-benzodioxin-6-yl)butan-2-ol
CID 82080447
3-amino-2-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-thiophen-2-ylpropan-1-ol
CID 65189566
1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[methyl(2-methylbutan-2-yl)amino]ethanol
CID 63964682
3-amino-1-(2,3-dihydro-1,4-benzodioxin-6-yl)propan-1-ol
CID 65184600
2-amino-1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)ethanol
CID 60869534
2-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]propane-1,3-diamine
CID 83922116
bis(2,3-dihydro-1,4-benzodioxin-6-yl)methanol
CID 69205409
(1R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethane-1,2-diamine;hydrochloride
CID 171226605

Frequently Asked Questions

What is the IUPAC name of 1-amino-2-(2,3-dihydro-1,4-benzodioxin-6-yl)-4,4-dimethylpentan-3-ol?
The IUPAC name of 1-amino-2-(2,3-dihydro-1,4-benzodioxin-6-yl)-4,4-dimethylpentan-3-ol (CID 65189565) is 1-amino-2-(2,3-dihydro-1,4-benzodioxin-6-yl)-4,4-dimethylpentan-3-ol.
What is the SMILES notation for 1-amino-2-(2,3-dihydro-1,4-benzodioxin-6-yl)-4,4-dimethylpentan-3-ol?
The canonical SMILES for 1-amino-2-(2,3-dihydro-1,4-benzodioxin-6-yl)-4,4-dimethylpentan-3-ol is CC(C)(C)C(O)C(CN)c1ccc2c(c1)OCCO2.
What is the InChIKey of 1-amino-2-(2,3-dihydro-1,4-benzodioxin-6-yl)-4,4-dimethylpentan-3-ol?
The InChIKey is JVZLIVJAHJAVGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO3/c1-15(2,3)14(17)11(9-16)10-4-5-12-13(8-10)19-7-6-18-12/h4-5,8,11,14,17H,6-7,9,16H2,1-3H3.
What are the key properties of 1-amino-2-(2,3-dihydro-1,4-benzodioxin-6-yl)-4,4-dimethylpentan-3-ol?
1-amino-2-(2,3-dihydro-1,4-benzodioxin-6-yl)-4,4-dimethylpentan-3-ol has a molecular weight of 265.35 g/mol, XLogP of 1.91, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-2-(2,3-dihydro-1,4-benzodioxin-6-yl)-4,4-dimethylpentan-3-ol is sourced from PubChem (CID 65189565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).