5-(2-aminopropyl)-7-bromo-2,3-dihydro-1,4-benzodioxin-6-ol

C11H14BrNO3 — CID 117464917

IUPAC5-(2-aminopropyl)-7-bromo-2,3-dihydro-1,4-benzodioxin-6-ol
SMILESCC(N)Cc1c(O)c(Br)cc2c1OCCO2
InChIInChI=1S/C11H14BrNO3/c1-6(13)4-7-10(14)8(12)5-9-11(7)16-3-2-15-9/h5-6,14H,2-4,13H2,1H3
InChIKeyFLBBTHUOCASIGY-UHFFFAOYSA-N
MW288.14 g/mol
LogP1.82
Rot. Bonds2

About 5-(2-aminopropyl)-7-bromo-2,3-dihydro-1,4-benzodioxin-6-ol

5-(2-aminopropyl)-7-bromo-2,3-dihydro-1,4-benzodioxin-6-ol (PubChem CID 117464917) has the molecular formula C11H14BrNO3 and a molecular weight of 288.14 g/mol. Its IUPAC name is 5-(2-aminopropyl)-7-bromo-2,3-dihydro-1,4-benzodioxin-6-ol.

Molecular Properties

Compound Name5-(2-aminopropyl)-7-bromo-2,3-dihydro-1,4-benzodioxin-6-ol
PubChem CID117464917
Molecular FormulaC11H14BrNO3
Molecular Weight288.14 g/mol
Exact Mass287.02
IUPAC Name5-(2-aminopropyl)-7-bromo-2,3-dihydro-1,4-benzodioxin-6-ol
SMILESCC(N)Cc1c(O)c(Br)cc2c1OCCO2
InChIInChI=1S/C11H14BrNO3/c1-6(13)4-7-10(14)8(12)5-9-11(7)16-3-2-15-9/h5-6,14H,2-4,13H2,1H3
InChIKeyFLBBTHUOCASIGY-UHFFFAOYSA-N
XLogP1.82
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 ≤ 51.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

8-bromo-6-(2-hydroxypropyl)-3,4-dihydro-2H-1,5-benzodioxepin-7-ol
CID 117487912
7-(2-aminopropyl)-5-bromo-2,3-dihydro-1,4-benzodioxin-6-ol
CID 117464914
5-(aminooxymethyl)-7-bromo-2,3-dihydro-1,4-benzodioxin-6-ol
CID 117441552
5-(1-aminopropan-2-yl)-7-bromo-2,3-dihydro-1,4-benzodioxin-6-ol
CID 117464826
3-(7-bromo-6-hydroxy-2,3-dihydro-1,4-benzodioxin-5-yl)propanal
CID 117462715
5-(4-aminobutan-2-yl)-7-bromo-2,3-dihydro-1,4-benzodioxin-6-ol
CID 117486416
1-(5-bromo-6-methyl-2,3-dihydro-1,4-benzodioxin-7-yl)propan-2-amine
CID 117461128
(7-bromo-5-ethyl-2,3-dihydro-1,4-benzodioxin-6-yl)methanamine
CID 84713196
6-bromo-4-ethyl-1,3-benzodioxol-5-ol
CID 84704791
1-(5-bromo-6-fluoro-2,3-dihydro-1,4-benzodioxin-7-yl)propan-2-amine
CID 117468288
6-(2-aminopropyl)-4-bromo-1,3-benzodioxol-5-ol
CID 117437377
2-(7-bromo-5-ethyl-2,3-dihydro-1,4-benzodioxin-6-yl)propan-1-amine
CID 117483712

Frequently Asked Questions

What is the IUPAC name of 5-(2-aminopropyl)-7-bromo-2,3-dihydro-1,4-benzodioxin-6-ol?
The IUPAC name of 5-(2-aminopropyl)-7-bromo-2,3-dihydro-1,4-benzodioxin-6-ol (CID 117464917) is 5-(2-aminopropyl)-7-bromo-2,3-dihydro-1,4-benzodioxin-6-ol.
What is the SMILES notation for 5-(2-aminopropyl)-7-bromo-2,3-dihydro-1,4-benzodioxin-6-ol?
The canonical SMILES for 5-(2-aminopropyl)-7-bromo-2,3-dihydro-1,4-benzodioxin-6-ol is CC(N)Cc1c(O)c(Br)cc2c1OCCO2.
What is the InChIKey of 5-(2-aminopropyl)-7-bromo-2,3-dihydro-1,4-benzodioxin-6-ol?
The InChIKey is FLBBTHUOCASIGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14BrNO3/c1-6(13)4-7-10(14)8(12)5-9-11(7)16-3-2-15-9/h5-6,14H,2-4,13H2,1H3.
What are the key properties of 5-(2-aminopropyl)-7-bromo-2,3-dihydro-1,4-benzodioxin-6-ol?
5-(2-aminopropyl)-7-bromo-2,3-dihydro-1,4-benzodioxin-6-ol has a molecular weight of 288.14 g/mol, XLogP of 1.82, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-aminopropyl)-7-bromo-2,3-dihydro-1,4-benzodioxin-6-ol is sourced from PubChem (CID 117464917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).