3-(6-bromo-4H-1,3-benzodioxin-8-yl)propan-1-amine

C11H14BrNO2 — CID 83903751

IUPAC3-(6-bromo-4H-1,3-benzodioxin-8-yl)propan-1-amine
SMILESNCCCc1cc(Br)cc2c1OCOC2
InChIInChI=1S/C11H14BrNO2/c12-10-4-8(2-1-3-13)11-9(5-10)6-14-7-15-11/h4-5H,1-3,6-7,13H2
InChIKeyCRVMMACSKOGUIH-UHFFFAOYSA-N
MW272.14 g/mol
LogP2.21
Rot. Bonds3

About 3-(6-bromo-4H-1,3-benzodioxin-8-yl)propan-1-amine

3-(6-bromo-4H-1,3-benzodioxin-8-yl)propan-1-amine (PubChem CID 83903751) has the molecular formula C11H14BrNO2 and a molecular weight of 272.14 g/mol. Its IUPAC name is 3-(6-bromo-4H-1,3-benzodioxin-8-yl)propan-1-amine.

Molecular Properties

Compound Name3-(6-bromo-4H-1,3-benzodioxin-8-yl)propan-1-amine
PubChem CID83903751
Molecular FormulaC11H14BrNO2
Molecular Weight272.14 g/mol
Exact Mass271.02
IUPAC Name3-(6-bromo-4H-1,3-benzodioxin-8-yl)propan-1-amine
SMILESNCCCc1cc(Br)cc2c1OCOC2
InChIInChI=1S/C11H14BrNO2/c12-10-4-8(2-1-3-13)11-9(5-10)6-14-7-15-11/h4-5H,1-3,6-7,13H2
InChIKeyCRVMMACSKOGUIH-UHFFFAOYSA-N
XLogP2.21
TPSA44.48 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 ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(6-bromo-4H-1,3-benzodioxin-8-yl)-N-methylethanamine
CID 83903752
1-[(6-bromo-4H-1,3-benzodioxin-8-yl)methyl]cyclopropan-1-ol
CID 117458860
1-(6-bromo-4H-1,3-benzodioxin-8-yl)cyclobutan-1-amine
CID 117456869
2-(8-fluoro-4H-1,3-benzodioxin-6-yl)ethanamine
CID 83880036
6-bromo-4H-1,3-benzodioxine-8-carboxylic acid
CID 83901717
2-(6-bromo-4H-1,3-benzodioxin-8-yl)-2-methylpropan-1-ol
CID 117463066
2-(4H-1,3-benzodioxin-8-yl)ethanamine
CID 82409644
3-(6-fluoro-4H-1,3-benzodioxin-8-yl)-N,N-dimethylpropan-1-amine
CID 170865915
3-(6-methyl-1,3-benzodioxol-4-yl)propan-1-amine
CID 117283708
8-bromo-6-chloro-4H-1,3-benzodioxine
CID 14520335
2-(3-aminopropyl)-4-bromo-6-fluorophenol
CID 83900251
1-(6-bromo-4H-1,3-benzodioxin-8-yl)cyclobutane-1-carboxylic acid
CID 117498058

Frequently Asked Questions

What is the IUPAC name of 3-(6-bromo-4H-1,3-benzodioxin-8-yl)propan-1-amine?
The IUPAC name of 3-(6-bromo-4H-1,3-benzodioxin-8-yl)propan-1-amine (CID 83903751) is 3-(6-bromo-4H-1,3-benzodioxin-8-yl)propan-1-amine.
What is the SMILES notation for 3-(6-bromo-4H-1,3-benzodioxin-8-yl)propan-1-amine?
The canonical SMILES for 3-(6-bromo-4H-1,3-benzodioxin-8-yl)propan-1-amine is NCCCc1cc(Br)cc2c1OCOC2.
What is the InChIKey of 3-(6-bromo-4H-1,3-benzodioxin-8-yl)propan-1-amine?
The InChIKey is CRVMMACSKOGUIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14BrNO2/c12-10-4-8(2-1-3-13)11-9(5-10)6-14-7-15-11/h4-5H,1-3,6-7,13H2.
What are the key properties of 3-(6-bromo-4H-1,3-benzodioxin-8-yl)propan-1-amine?
3-(6-bromo-4H-1,3-benzodioxin-8-yl)propan-1-amine has a molecular weight of 272.14 g/mol, XLogP of 2.21, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(6-bromo-4H-1,3-benzodioxin-8-yl)propan-1-amine is sourced from PubChem (CID 83903751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).