2-(6-bromo-4H-1,3-benzodioxin-8-yl)-N-methylethanamine

C11H14BrNO2 — CID 83903752

IUPAC2-(6-bromo-4H-1,3-benzodioxin-8-yl)-N-methylethanamine
SMILESCNCCc1cc(Br)cc2c1OCOC2
InChIInChI=1S/C11H14BrNO2/c1-13-3-2-8-4-10(12)5-9-6-14-7-15-11(8)9/h4-5,13H,2-3,6-7H2,1H3
InChIKeyZCDHYQWRZCINRW-UHFFFAOYSA-N
MW272.14 g/mol
LogP2.08
Rot. Bonds3

About 2-(6-bromo-4H-1,3-benzodioxin-8-yl)-N-methylethanamine

2-(6-bromo-4H-1,3-benzodioxin-8-yl)-N-methylethanamine (PubChem CID 83903752) has the molecular formula C11H14BrNO2 and a molecular weight of 272.14 g/mol. Its IUPAC name is 2-(6-bromo-4H-1,3-benzodioxin-8-yl)-N-methylethanamine.

Molecular Properties

Compound Name2-(6-bromo-4H-1,3-benzodioxin-8-yl)-N-methylethanamine
PubChem CID83903752
Molecular FormulaC11H14BrNO2
Molecular Weight272.14 g/mol
Exact Mass271.02
IUPAC Name2-(6-bromo-4H-1,3-benzodioxin-8-yl)-N-methylethanamine
SMILESCNCCc1cc(Br)cc2c1OCOC2
InChIInChI=1S/C11H14BrNO2/c1-13-3-2-8-4-10(12)5-9-6-14-7-15-11(8)9/h4-5,13H,2-3,6-7H2,1H3
InChIKeyZCDHYQWRZCINRW-UHFFFAOYSA-N
XLogP2.08
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.14
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-methyl-2-(6-methyl-4H-1,3-benzodioxin-8-yl)ethanamine
CID 83883221
3-(6-bromo-4H-1,3-benzodioxin-8-yl)propan-1-amine
CID 83903751
1-[(6-bromo-4H-1,3-benzodioxin-8-yl)methyl]cyclopropan-1-ol
CID 117458860
N-methyl-2-(5-methyl-4H-1,3-benzodioxin-8-yl)ethanamine
CID 83883249
2-(6-bromo-4H-1,3-benzodioxin-8-yl)-2-methylpropan-1-ol
CID 117463066
6-bromo-4H-1,3-benzodioxine-8-carboxylic acid
CID 83901717
2-(4-bromo-6-fluoro-1,3-benzodioxol-5-yl)-N-methylethanamine
CID 117441638
N-[2-(5-bromo-2,3-dihydro-1-benzofuran-7-yl)ethyl]-2-methylpropan-2-amine
CID 113403564
N-[2-(6-fluoro-4H-1,3-benzodioxin-8-yl)ethyl]-2,2-dimethylpropanamide
CID 47180608
1-(6-bromo-4H-1,3-benzodioxin-8-yl)cyclobutan-1-amine
CID 117456869
2-(5-bromo-8-methyl-2,3-dihydro-1,4-benzodioxin-7-yl)-N-methylethanamine
CID 117461082
N-[(5-bromo-2,3-dihydro-1-benzofuran-7-yl)methyl]-3-(methylamino)propanamide
CID 113443019

Frequently Asked Questions

What is the IUPAC name of 2-(6-bromo-4H-1,3-benzodioxin-8-yl)-N-methylethanamine?
The IUPAC name of 2-(6-bromo-4H-1,3-benzodioxin-8-yl)-N-methylethanamine (CID 83903752) is 2-(6-bromo-4H-1,3-benzodioxin-8-yl)-N-methylethanamine.
What is the SMILES notation for 2-(6-bromo-4H-1,3-benzodioxin-8-yl)-N-methylethanamine?
The canonical SMILES for 2-(6-bromo-4H-1,3-benzodioxin-8-yl)-N-methylethanamine is CNCCc1cc(Br)cc2c1OCOC2.
What is the InChIKey of 2-(6-bromo-4H-1,3-benzodioxin-8-yl)-N-methylethanamine?
The InChIKey is ZCDHYQWRZCINRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14BrNO2/c1-13-3-2-8-4-10(12)5-9-6-14-7-15-11(8)9/h4-5,13H,2-3,6-7H2,1H3.
What are the key properties of 2-(6-bromo-4H-1,3-benzodioxin-8-yl)-N-methylethanamine?
2-(6-bromo-4H-1,3-benzodioxin-8-yl)-N-methylethanamine has a molecular weight of 272.14 g/mol, XLogP of 2.08, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-bromo-4H-1,3-benzodioxin-8-yl)-N-methylethanamine is sourced from PubChem (CID 83903752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).