2-amino-2-(5-bromo-7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)ethanol

C11H14BrNO3 — CID 117464755

IUPAC2-amino-2-(5-bromo-7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)ethanol
SMILESCc1cc2c(c(Br)c1C(N)CO)OCCO2
InChIInChI=1S/C11H14BrNO3/c1-6-4-8-11(16-3-2-15-8)10(12)9(6)7(13)5-14/h4,7,14H,2-3,5,13H2,1H3
InChIKeyIUIADOMZMHVUMC-UHFFFAOYSA-N
MW288.14 g/mol
LogP1.52
Rot. Bonds2

About 2-amino-2-(5-bromo-7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)ethanol

2-amino-2-(5-bromo-7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)ethanol (PubChem CID 117464755) has the molecular formula C11H14BrNO3 and a molecular weight of 288.14 g/mol. Its IUPAC name is 2-amino-2-(5-bromo-7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)ethanol.

Molecular Properties

Compound Name2-amino-2-(5-bromo-7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)ethanol
PubChem CID117464755
Molecular FormulaC11H14BrNO3
Molecular Weight288.14 g/mol
Exact Mass287.02
IUPAC Name2-amino-2-(5-bromo-7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)ethanol
SMILESCc1cc2c(c(Br)c1C(N)CO)OCCO2
InChIInChI=1S/C11H14BrNO3/c1-6-4-8-11(16-3-2-15-8)10(12)9(6)7(13)5-14/h4,7,14H,2-3,5,13H2,1H3
InChIKeyIUIADOMZMHVUMC-UHFFFAOYSA-N
XLogP1.52
TPSA64.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.14
LogP ≤ 51.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-amino-2-(5-bromo-7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)ethanol with MolForge

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Related Compounds

2-amino-2-(5-bromo-7-fluoro-2,3-dihydro-1,4-benzodioxin-6-yl)ethanol
CID 117471433
2-(5-bromo-7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)propan-1-amine
CID 117461064
2-amino-2-(6-bromo-5-methyl-1,3-benzodioxol-4-yl)ethanol
CID 117437407
2-(5-bromo-7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)ethanamine
CID 117432711
2-(5-methyl-2,3-dihydro-1,4-benzodioxin-7-yl)propan-1-ol
CID 117297535
2-amino-2-(7,8-dimethyl-2,3-dihydro-1,4-benzodioxin-5-yl)ethanol
CID 117319704
7-(2-aminopropyl)-5-bromo-2,3-dihydro-1,4-benzodioxin-6-ol
CID 117464914
1-(5-bromo-6-methyl-2,3-dihydro-1,4-benzodioxin-7-yl)propan-2-amine
CID 117461128
1-(5-bromo-7-fluoro-2,3-dihydro-1,4-benzodioxin-6-yl)ethanol
CID 117443577
[1-(5-bromo-7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)cyclopropyl]methanamine
CID 117480107
2-(5-bromo-6-methoxy-2,3-dihydro-1,4-benzodioxin-7-yl)propan-1-ol
CID 117488073
1-(5-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)ethane-1,2-diol
CID 82713152

Frequently Asked Questions

What is the IUPAC name of 2-amino-2-(5-bromo-7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)ethanol?
The IUPAC name of 2-amino-2-(5-bromo-7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)ethanol (CID 117464755) is 2-amino-2-(5-bromo-7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)ethanol.
What is the SMILES notation for 2-amino-2-(5-bromo-7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)ethanol?
The canonical SMILES for 2-amino-2-(5-bromo-7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)ethanol is Cc1cc2c(c(Br)c1C(N)CO)OCCO2.
What is the InChIKey of 2-amino-2-(5-bromo-7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)ethanol?
The InChIKey is IUIADOMZMHVUMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14BrNO3/c1-6-4-8-11(16-3-2-15-8)10(12)9(6)7(13)5-14/h4,7,14H,2-3,5,13H2,1H3.
What are the key properties of 2-amino-2-(5-bromo-7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)ethanol?
2-amino-2-(5-bromo-7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)ethanol has a molecular weight of 288.14 g/mol, XLogP of 1.52, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-(5-bromo-7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)ethanol is sourced from PubChem (CID 117464755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).