2-(5-bromo-2,3-dihydro-1,4-benzodioxin-6-yl)propan-1-amine

C11H14BrNO2 — CID 117432680

IUPAC2-(5-bromo-2,3-dihydro-1,4-benzodioxin-6-yl)propan-1-amine
SMILESCC(CN)c1ccc2c(c1Br)OCCO2
InChIInChI=1S/C11H14BrNO2/c1-7(6-13)8-2-3-9-11(10(8)12)15-5-4-14-9/h2-3,7H,4-6,13H2,1H3
InChIKeyCLPFEFOYBLRSFX-UHFFFAOYSA-N
MW272.14 g/mol
LogP2.28
Rot. Bonds2

About 2-(5-bromo-2,3-dihydro-1,4-benzodioxin-6-yl)propan-1-amine

2-(5-bromo-2,3-dihydro-1,4-benzodioxin-6-yl)propan-1-amine (PubChem CID 117432680) has the molecular formula C11H14BrNO2 and a molecular weight of 272.14 g/mol. Its IUPAC name is 2-(5-bromo-2,3-dihydro-1,4-benzodioxin-6-yl)propan-1-amine.

Molecular Properties

Compound Name2-(5-bromo-2,3-dihydro-1,4-benzodioxin-6-yl)propan-1-amine
PubChem CID117432680
Molecular FormulaC11H14BrNO2
Molecular Weight272.14 g/mol
Exact Mass271.02
IUPAC Name2-(5-bromo-2,3-dihydro-1,4-benzodioxin-6-yl)propan-1-amine
SMILESCC(CN)c1ccc2c(c1Br)OCCO2
InChIInChI=1S/C11H14BrNO2/c1-7(6-13)8-2-3-9-11(10(8)12)15-5-4-14-9/h2-3,7H,4-6,13H2,1H3
InChIKeyCLPFEFOYBLRSFX-UHFFFAOYSA-N
XLogP2.28
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.14
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-bromo-1,3-benzodioxol-5-yl)propan-1-amine
CID 117398356
2-(5-propan-2-yl-2,3-dihydro-1,4-benzodioxin-6-yl)propan-1-amine
CID 117343376
1-(5-bromo-2,3-dihydro-1,4-benzodioxin-6-yl)ethanamine
CID 117398310
2-(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-7-yl)propan-1-amine
CID 117356342
2-(5-bromo-7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)propan-1-amine
CID 117461064
6-(4-aminobutan-2-yl)-2,3-dihydro-1,4-benzodioxin-5-ol
CID 117319949
5-(1-aminopropan-2-yl)-2,3-dihydro-1,4-benzodioxin-7-ol
CID 117298493
2-(7-bromo-5-fluoro-2,3-dihydro-1,4-benzodioxin-6-yl)propan-1-amine
CID 117468334
2-(6-methylsulfanyl-2,3-dihydro-1,4-benzodioxin-7-yl)propan-1-amine
CID 117351497
8-(1-aminopropan-2-yl)-6-bromo-2,3-dihydro-1,4-benzodioxine-5-carbaldehyde
CID 117483072
2-(7-bromo-5-ethyl-2,3-dihydro-1,4-benzodioxin-6-yl)propan-1-amine
CID 117483712
5-(1-aminopropan-2-yl)-7-bromo-2,3-dihydro-1,4-benzodioxin-6-ol
CID 117464826

Frequently Asked Questions

What is the IUPAC name of 2-(5-bromo-2,3-dihydro-1,4-benzodioxin-6-yl)propan-1-amine?
The IUPAC name of 2-(5-bromo-2,3-dihydro-1,4-benzodioxin-6-yl)propan-1-amine (CID 117432680) is 2-(5-bromo-2,3-dihydro-1,4-benzodioxin-6-yl)propan-1-amine.
What is the SMILES notation for 2-(5-bromo-2,3-dihydro-1,4-benzodioxin-6-yl)propan-1-amine?
The canonical SMILES for 2-(5-bromo-2,3-dihydro-1,4-benzodioxin-6-yl)propan-1-amine is CC(CN)c1ccc2c(c1Br)OCCO2.
What is the InChIKey of 2-(5-bromo-2,3-dihydro-1,4-benzodioxin-6-yl)propan-1-amine?
The InChIKey is CLPFEFOYBLRSFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14BrNO2/c1-7(6-13)8-2-3-9-11(10(8)12)15-5-4-14-9/h2-3,7H,4-6,13H2,1H3.
What are the key properties of 2-(5-bromo-2,3-dihydro-1,4-benzodioxin-6-yl)propan-1-amine?
2-(5-bromo-2,3-dihydro-1,4-benzodioxin-6-yl)propan-1-amine has a molecular weight of 272.14 g/mol, XLogP of 2.28, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-bromo-2,3-dihydro-1,4-benzodioxin-6-yl)propan-1-amine is sourced from PubChem (CID 117432680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).