7-(2-amino-2-methylpropyl)-5-bromo-2,3-dihydro-1,4-benzodioxin-6-ol

C12H16BrNO3 — CID 117486511

IUPAC7-(2-amino-2-methylpropyl)-5-bromo-2,3-dihydro-1,4-benzodioxin-6-ol
SMILESCC(C)(N)Cc1cc2c(c(Br)c1O)OCCO2
InChIInChI=1S/C12H16BrNO3/c1-12(2,14)6-7-5-8-11(9(13)10(7)15)17-4-3-16-8/h5,15H,3-4,6,14H2,1-2H3
InChIKeyWJUCPRGKTZSBDX-UHFFFAOYSA-N
MW302.17 g/mol
LogP2.21
Rot. Bonds2

About 7-(2-amino-2-methylpropyl)-5-bromo-2,3-dihydro-1,4-benzodioxin-6-ol

7-(2-amino-2-methylpropyl)-5-bromo-2,3-dihydro-1,4-benzodioxin-6-ol (PubChem CID 117486511) has the molecular formula C12H16BrNO3 and a molecular weight of 302.17 g/mol. Its IUPAC name is 7-(2-amino-2-methylpropyl)-5-bromo-2,3-dihydro-1,4-benzodioxin-6-ol.

Molecular Properties

Compound Name7-(2-amino-2-methylpropyl)-5-bromo-2,3-dihydro-1,4-benzodioxin-6-ol
PubChem CID117486511
Molecular FormulaC12H16BrNO3
Molecular Weight302.17 g/mol
Exact Mass301.03
IUPAC Name7-(2-amino-2-methylpropyl)-5-bromo-2,3-dihydro-1,4-benzodioxin-6-ol
SMILESCC(C)(N)Cc1cc2c(c(Br)c1O)OCCO2
InChIInChI=1S/C12H16BrNO3/c1-12(2,14)6-7-5-8-11(9(13)10(7)15)17-4-3-16-8/h5,15H,3-4,6,14H2,1-2H3
InChIKeyWJUCPRGKTZSBDX-UHFFFAOYSA-N
XLogP2.21
TPSA64.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.17
LogP ≤ 52.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 7-(2-amino-2-methylpropyl)-5-bromo-2,3-dihydro-1,4-benzodioxin-6-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

7-(2-aminopropyl)-5-bromo-2,3-dihydro-1,4-benzodioxin-6-ol
CID 117464914
2-methyl-1-(7-methyl-2,3-dihydro-1,4-benzodioxin-5-yl)propan-2-amine
CID 117316768
1-(5-chloro-6-methyl-2,3-dihydro-1,4-benzodioxin-7-yl)-2-methylpropan-2-amine
CID 117392742
3-(5-bromo-6-hydroxy-2,3-dihydro-1,4-benzodioxin-7-yl)propanoic acid
CID 117487772
4-bromo-6-(hydroxymethyl)-1,3-benzodioxol-5-ol
CID 84705938
6-(2-amino-2-methylpropyl)-2-bromo-3,4-difluorophenol
CID 84811709
6-(2-aminopropyl)-4-bromo-1,3-benzodioxol-5-ol
CID 117437377
1-(5-fluoro-2,3-dihydro-1,4-benzodioxin-7-yl)-2-methylpropan-2-amine
CID 117323267
3-(5-bromo-6-hydroxy-2,3-dihydro-1,4-benzodioxin-7-yl)butanal
CID 117484829
1-(6-bromo-5-fluoro-1,3-benzodioxol-4-yl)-2-methylpropan-2-amine
CID 117468385
2-(5-bromo-6-ethyl-2,3-dihydro-1,4-benzodioxin-7-yl)ethanamine
CID 117460829
1-(7-chloro-5-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)-2-methylpropan-2-amine
CID 117392732

Frequently Asked Questions

What is the IUPAC name of 7-(2-amino-2-methylpropyl)-5-bromo-2,3-dihydro-1,4-benzodioxin-6-ol?
The IUPAC name of 7-(2-amino-2-methylpropyl)-5-bromo-2,3-dihydro-1,4-benzodioxin-6-ol (CID 117486511) is 7-(2-amino-2-methylpropyl)-5-bromo-2,3-dihydro-1,4-benzodioxin-6-ol.
What is the SMILES notation for 7-(2-amino-2-methylpropyl)-5-bromo-2,3-dihydro-1,4-benzodioxin-6-ol?
The canonical SMILES for 7-(2-amino-2-methylpropyl)-5-bromo-2,3-dihydro-1,4-benzodioxin-6-ol is CC(C)(N)Cc1cc2c(c(Br)c1O)OCCO2.
What is the InChIKey of 7-(2-amino-2-methylpropyl)-5-bromo-2,3-dihydro-1,4-benzodioxin-6-ol?
The InChIKey is WJUCPRGKTZSBDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16BrNO3/c1-12(2,14)6-7-5-8-11(9(13)10(7)15)17-4-3-16-8/h5,15H,3-4,6,14H2,1-2H3.
What are the key properties of 7-(2-amino-2-methylpropyl)-5-bromo-2,3-dihydro-1,4-benzodioxin-6-ol?
7-(2-amino-2-methylpropyl)-5-bromo-2,3-dihydro-1,4-benzodioxin-6-ol has a molecular weight of 302.17 g/mol, XLogP of 2.21, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(2-amino-2-methylpropyl)-5-bromo-2,3-dihydro-1,4-benzodioxin-6-ol is sourced from PubChem (CID 117486511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).