1-amino-3-(1,3-benzodioxol-5-yl)-2-methylpropan-2-ol

C11H15NO3 — CID 82023642

IUPAC1-amino-3-(1,3-benzodioxol-5-yl)-2-methylpropan-2-ol
SMILESCC(O)(CN)Cc1ccc2c(c1)OCO2
InChIInChI=1S/C11H15NO3/c1-11(13,6-12)5-8-2-3-9-10(4-8)15-7-14-9/h2-4,13H,5-7,12H2,1H3
InChIKeyLPELUTHBTVSLPK-UHFFFAOYSA-N
MW209.25 g/mol
LogP0.67
Rot. Bonds3

About 1-amino-3-(1,3-benzodioxol-5-yl)-2-methylpropan-2-ol

1-amino-3-(1,3-benzodioxol-5-yl)-2-methylpropan-2-ol (PubChem CID 82023642) has the molecular formula C11H15NO3 and a molecular weight of 209.25 g/mol. Its IUPAC name is 1-amino-3-(1,3-benzodioxol-5-yl)-2-methylpropan-2-ol.

Molecular Properties

Compound Name1-amino-3-(1,3-benzodioxol-5-yl)-2-methylpropan-2-ol
PubChem CID82023642
Molecular FormulaC11H15NO3
Molecular Weight209.25 g/mol
Exact Mass209.11
IUPAC Name1-amino-3-(1,3-benzodioxol-5-yl)-2-methylpropan-2-ol
SMILESCC(O)(CN)Cc1ccc2c(c1)OCO2
InChIInChI=1S/C11H15NO3/c1-11(13,6-12)5-8-2-3-9-10(4-8)15-7-14-9/h2-4,13H,5-7,12H2,1H3
InChIKeyLPELUTHBTVSLPK-UHFFFAOYSA-N
XLogP0.67
TPSA64.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.25
LogP ≤ 50.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-3-(1,3-benzodioxol-5-yl)-2-methylpropan-1-ol
CID 130017651
1-(1,3-benzodioxol-5-yl)-2-cyclopropylpropan-2-ol
CID 82127616
1-(1,3-benzodioxol-5-yl)-2,3-dimethylbutan-2-amine
CID 82127786
2-(azepan-1-yl)-3-(1,3-benzodioxol-5-yl)-2-methylpropan-1-amine
CID 84752054
3-(1,3-benzodioxol-5-yl)-2-methyl-2-(4-methylpiperazin-1-yl)propan-1-amine
CID 84752184
5-(2,2,2-trifluoroethyl)-1,3-benzodioxole
CID 116932124
4-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-hydroxy-3-methylbutanoic acid
CID 82481446
(2R)-2-azaniumyl-3-(1,3-benzodioxol-5-yl)-2-methylpropanoate
CID 6922991
(2S)-2-azaniumyl-3-(1,3-benzodioxol-5-yl)-2-methylpropanoate
CID 7784508
3-(1,3-benzodioxol-5-yl)-2-cyano-2-methylpropanamide
CID 135070357
N-(3-amino-2,2-dimethylpropyl)-2-(1,3-benzodioxol-5-yl)-N-methylacetamide
CID 119654330
1-(1,3-benzodioxol-5-yl)-4-deuterio-2-pyrrol-1-ylpentan-2-ol
CID 102400447

Frequently Asked Questions

What is the IUPAC name of 1-amino-3-(1,3-benzodioxol-5-yl)-2-methylpropan-2-ol?
The IUPAC name of 1-amino-3-(1,3-benzodioxol-5-yl)-2-methylpropan-2-ol (CID 82023642) is 1-amino-3-(1,3-benzodioxol-5-yl)-2-methylpropan-2-ol.
What is the SMILES notation for 1-amino-3-(1,3-benzodioxol-5-yl)-2-methylpropan-2-ol?
The canonical SMILES for 1-amino-3-(1,3-benzodioxol-5-yl)-2-methylpropan-2-ol is CC(O)(CN)Cc1ccc2c(c1)OCO2.
What is the InChIKey of 1-amino-3-(1,3-benzodioxol-5-yl)-2-methylpropan-2-ol?
The InChIKey is LPELUTHBTVSLPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO3/c1-11(13,6-12)5-8-2-3-9-10(4-8)15-7-14-9/h2-4,13H,5-7,12H2,1H3.
What are the key properties of 1-amino-3-(1,3-benzodioxol-5-yl)-2-methylpropan-2-ol?
1-amino-3-(1,3-benzodioxol-5-yl)-2-methylpropan-2-ol has a molecular weight of 209.25 g/mol, XLogP of 0.67, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-3-(1,3-benzodioxol-5-yl)-2-methylpropan-2-ol is sourced from PubChem (CID 82023642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).