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

C12H14BrNO2 — CID 117456869

IUPAC1-(6-bromo-4H-1,3-benzodioxin-8-yl)cyclobutan-1-amine
SMILESNC1(c2cc(Br)cc3c2OCOC3)CCC1
InChIInChI=1S/C12H14BrNO2/c13-9-4-8-6-15-7-16-11(8)10(5-9)12(14)2-1-3-12/h4-5H,1-3,6-7,14H2
InChIKeyNTEYUTNBJHJHOB-UHFFFAOYSA-N
MW284.15 g/mol
LogP2.65
Rot. Bonds1

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

1-(6-bromo-4H-1,3-benzodioxin-8-yl)cyclobutan-1-amine (PubChem CID 117456869) has the molecular formula C12H14BrNO2 and a molecular weight of 284.15 g/mol. Its IUPAC name is 1-(6-bromo-4H-1,3-benzodioxin-8-yl)cyclobutan-1-amine.

Molecular Properties

Compound Name1-(6-bromo-4H-1,3-benzodioxin-8-yl)cyclobutan-1-amine
PubChem CID117456869
Molecular FormulaC12H14BrNO2
Molecular Weight284.15 g/mol
Exact Mass283.02
IUPAC Name1-(6-bromo-4H-1,3-benzodioxin-8-yl)cyclobutan-1-amine
SMILESNC1(c2cc(Br)cc3c2OCOC3)CCC1
InChIInChI=1S/C12H14BrNO2/c13-9-4-8-6-15-7-16-11(8)10(5-9)12(14)2-1-3-12/h4-5H,1-3,6-7,14H2
InChIKeyNTEYUTNBJHJHOB-UHFFFAOYSA-N
XLogP2.65
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.15
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(6-fluoro-4H-1,3-benzodioxin-8-yl)cyclopentan-1-amine
CID 117346664
1-(6-bromo-4H-1,3-benzodioxin-8-yl)cyclobutane-1-carboxylic acid
CID 117498058
1-[(6-bromo-4H-1,3-benzodioxin-8-yl)methyl]cyclopropan-1-ol
CID 117458860
3-(6-bromo-4H-1,3-benzodioxin-8-yl)propan-1-amine
CID 83903751
[1-(6-fluoro-4H-1,3-benzodioxin-8-yl)cyclobutyl]methanamine
CID 117346641
6-bromo-4H-1,3-benzodioxine-8-carboxylic acid
CID 83901717
1-(5-bromo-2-methyl-2,3-dihydro-1-benzofuran-7-yl)cyclopropan-1-amine
CID 84808221
2-(6-bromo-4H-1,3-benzodioxin-8-yl)-N-methylethanamine
CID 83903752
1-(5-bromo-2,3-dimethylphenyl)cyclohexan-1-amine
CID 117453302
1-(6-chloro-4H-1,3-benzodioxin-8-yl)cyclopentane-1-carboxylic acid
CID 117454296
2-(6-bromo-4H-1,3-benzodioxin-8-yl)-2-methylpropan-1-ol
CID 117463066
2-(1-aminocyclobutyl)-4-bromo-6-fluorophenol
CID 117403842

Frequently Asked Questions

What is the IUPAC name of 1-(6-bromo-4H-1,3-benzodioxin-8-yl)cyclobutan-1-amine?
The IUPAC name of 1-(6-bromo-4H-1,3-benzodioxin-8-yl)cyclobutan-1-amine (CID 117456869) is 1-(6-bromo-4H-1,3-benzodioxin-8-yl)cyclobutan-1-amine.
What is the SMILES notation for 1-(6-bromo-4H-1,3-benzodioxin-8-yl)cyclobutan-1-amine?
The canonical SMILES for 1-(6-bromo-4H-1,3-benzodioxin-8-yl)cyclobutan-1-amine is NC1(c2cc(Br)cc3c2OCOC3)CCC1.
What is the InChIKey of 1-(6-bromo-4H-1,3-benzodioxin-8-yl)cyclobutan-1-amine?
The InChIKey is NTEYUTNBJHJHOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14BrNO2/c13-9-4-8-6-15-7-16-11(8)10(5-9)12(14)2-1-3-12/h4-5H,1-3,6-7,14H2.
What are the key properties of 1-(6-bromo-4H-1,3-benzodioxin-8-yl)cyclobutan-1-amine?
1-(6-bromo-4H-1,3-benzodioxin-8-yl)cyclobutan-1-amine has a molecular weight of 284.15 g/mol, XLogP of 2.65, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-bromo-4H-1,3-benzodioxin-8-yl)cyclobutan-1-amine is sourced from PubChem (CID 117456869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).