5-(2-amino-2-methylpropyl)-1,3-benzodioxol-4-ol

C11H15NO3 — CID 117298709

IUPAC5-(2-amino-2-methylpropyl)-1,3-benzodioxol-4-ol
SMILESCC(C)(N)Cc1ccc2c(c1O)OCO2
InChIInChI=1S/C11H15NO3/c1-11(2,12)5-7-3-4-8-10(9(7)13)15-6-14-8/h3-4,13H,5-6,12H2,1-2H3
InChIKeyHQUOMDBDNROKMG-UHFFFAOYSA-N
MW209.24 g/mol
LogP1.40
Rot. Bonds2

About 5-(2-amino-2-methylpropyl)-1,3-benzodioxol-4-ol

5-(2-amino-2-methylpropyl)-1,3-benzodioxol-4-ol (PubChem CID 117298709) has the molecular formula C11H15NO3 and a molecular weight of 209.24 g/mol. Its IUPAC name is 5-(2-amino-2-methylpropyl)-1,3-benzodioxol-4-ol.

Molecular Properties

Compound Name5-(2-amino-2-methylpropyl)-1,3-benzodioxol-4-ol
PubChem CID117298709
Molecular FormulaC11H15NO3
Molecular Weight209.24 g/mol
Exact Mass209.11
IUPAC Name5-(2-amino-2-methylpropyl)-1,3-benzodioxol-4-ol
SMILESCC(C)(N)Cc1ccc2c(c1O)OCO2
InChIInChI=1S/C11H15NO3/c1-11(2,12)5-7-3-4-8-10(9(7)13)15-6-14-8/h3-4,13H,5-6,12H2,1-2H3
InChIKeyHQUOMDBDNROKMG-UHFFFAOYSA-N
XLogP1.40
TPSA64.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.24
LogP ≤ 51.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-methoxy-1,3-benzodioxol-5-yl)-2-methylpropan-2-amine
CID 117319983
5-(aminooxymethyl)-1,3-benzodioxol-4-ol
CID 117279345
5-(2-hydroxyethyl)-1,3-benzodioxol-4-ol
CID 117279028
5-(2-hydroxypropan-2-yl)-1,3-benzodioxol-4-ol
CID 117286045
5-(4-aminobutyl)-1,3-benzodioxol-4-ol
CID 117298514
1-(7-bromo-1,3-benzodioxol-4-yl)-2-methylpropan-2-amine
CID 117432784
6-(2-amino-2-methylpropyl)-1,3-benzoxazol-7-ol
CID 84779072
1-(6-chloro-1,3-benzodioxol-4-yl)-2-methylpropan-2-amine
CID 117327780
5-[(1R)-1-aminoethyl]-1,3-benzodioxol-4-ol
CID 130739560
2-methyl-1-(7-methyl-1,3-benzodioxol-5-yl)propan-2-amine
CID 117296103
5-[(1S)-1,2-diaminoethyl]-1,3-benzodioxol-4-ol
CID 130632951
1-[6-(methoxymethyl)-2,3-dihydro-1,4-benzodioxin-5-yl]-2-methylpropan-2-amine
CID 117381667

Frequently Asked Questions

What is the IUPAC name of 5-(2-amino-2-methylpropyl)-1,3-benzodioxol-4-ol?
The IUPAC name of 5-(2-amino-2-methylpropyl)-1,3-benzodioxol-4-ol (CID 117298709) is 5-(2-amino-2-methylpropyl)-1,3-benzodioxol-4-ol.
What is the SMILES notation for 5-(2-amino-2-methylpropyl)-1,3-benzodioxol-4-ol?
The canonical SMILES for 5-(2-amino-2-methylpropyl)-1,3-benzodioxol-4-ol is CC(C)(N)Cc1ccc2c(c1O)OCO2.
What is the InChIKey of 5-(2-amino-2-methylpropyl)-1,3-benzodioxol-4-ol?
The InChIKey is HQUOMDBDNROKMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO3/c1-11(2,12)5-7-3-4-8-10(9(7)13)15-6-14-8/h3-4,13H,5-6,12H2,1-2H3.
What are the key properties of 5-(2-amino-2-methylpropyl)-1,3-benzodioxol-4-ol?
5-(2-amino-2-methylpropyl)-1,3-benzodioxol-4-ol has a molecular weight of 209.24 g/mol, XLogP of 1.40, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-amino-2-methylpropyl)-1,3-benzodioxol-4-ol is sourced from PubChem (CID 117298709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).