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

C10H12BrNO2 — CID 117398310

IUPAC1-(5-bromo-2,3-dihydro-1,4-benzodioxin-6-yl)ethanamine
SMILESCC(N)c1ccc2c(c1Br)OCCO2
InChIInChI=1S/C10H12BrNO2/c1-6(12)7-2-3-8-10(9(7)11)14-5-4-13-8/h2-3,6H,4-5,12H2,1H3
InChIKeyUDBGJHPDNXSLAD-UHFFFAOYSA-N
MW258.11 g/mol
LogP2.24
Rot. Bonds1

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

1-(5-bromo-2,3-dihydro-1,4-benzodioxin-6-yl)ethanamine (PubChem CID 117398310) has the molecular formula C10H12BrNO2 and a molecular weight of 258.11 g/mol. Its IUPAC name is 1-(5-bromo-2,3-dihydro-1,4-benzodioxin-6-yl)ethanamine.

Molecular Properties

Compound Name1-(5-bromo-2,3-dihydro-1,4-benzodioxin-6-yl)ethanamine
PubChem CID117398310
Molecular FormulaC10H12BrNO2
Molecular Weight258.11 g/mol
Exact Mass257.01
IUPAC Name1-(5-bromo-2,3-dihydro-1,4-benzodioxin-6-yl)ethanamine
SMILESCC(N)c1ccc2c(c1Br)OCCO2
InChIInChI=1S/C10H12BrNO2/c1-6(12)7-2-3-8-10(9(7)11)14-5-4-13-8/h2-3,6H,4-5,12H2,1H3
InChIKeyUDBGJHPDNXSLAD-UHFFFAOYSA-N
XLogP2.24
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.11
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(5-bromo-2,3-dihydro-1,4-benzodioxin-6-yl)propan-1-amine
CID 117432680
7-(1-aminoethyl)-3,4-dihydro-2H-1,5-benzodioxepin-6-ol
CID 117298696
1-[1-(5-bromo-2,3-dihydro-1,4-benzodioxin-6-yl)cyclopropyl]ethanamine
CID 117480230
1-(3,4-dihydro-2H-1,5-benzodioxepin-6-yl)ethanamine
CID 68796634
2-(4-bromo-1,3-benzodioxol-5-yl)propan-1-amine
CID 117398356
3,6,9,12-tetraoxatricyclo[6.4.2.02,7]tetradeca-1,7,13-triene
CID 54006719
2-(5-propan-2-yl-2,3-dihydro-1,4-benzodioxin-6-yl)propan-1-amine
CID 117343376
5-[(1R)-1-aminoethyl]-1,3-benzodioxol-4-ol
CID 130739560
7-(2-aminopropyl)-5-bromo-2,3-dihydro-1,4-benzodioxin-6-ol
CID 117464914
1-(5-bromo-6-methyl-2,3-dihydro-1,4-benzodioxin-7-yl)propan-2-amine
CID 117461128
6-(4-aminobutan-2-yl)-2,3-dihydro-1,4-benzodioxin-5-ol
CID 117319949
2-amino-2-(5-hydroxy-2,3-dihydro-1,4-benzodioxin-6-yl)acetic acid
CID 117322810

Frequently Asked Questions

What is the IUPAC name of 1-(5-bromo-2,3-dihydro-1,4-benzodioxin-6-yl)ethanamine?
The IUPAC name of 1-(5-bromo-2,3-dihydro-1,4-benzodioxin-6-yl)ethanamine (CID 117398310) is 1-(5-bromo-2,3-dihydro-1,4-benzodioxin-6-yl)ethanamine.
What is the SMILES notation for 1-(5-bromo-2,3-dihydro-1,4-benzodioxin-6-yl)ethanamine?
The canonical SMILES for 1-(5-bromo-2,3-dihydro-1,4-benzodioxin-6-yl)ethanamine is CC(N)c1ccc2c(c1Br)OCCO2.
What is the InChIKey of 1-(5-bromo-2,3-dihydro-1,4-benzodioxin-6-yl)ethanamine?
The InChIKey is UDBGJHPDNXSLAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12BrNO2/c1-6(12)7-2-3-8-10(9(7)11)14-5-4-13-8/h2-3,6H,4-5,12H2,1H3.
What are the key properties of 1-(5-bromo-2,3-dihydro-1,4-benzodioxin-6-yl)ethanamine?
1-(5-bromo-2,3-dihydro-1,4-benzodioxin-6-yl)ethanamine has a molecular weight of 258.11 g/mol, XLogP of 2.24, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromo-2,3-dihydro-1,4-benzodioxin-6-yl)ethanamine is sourced from PubChem (CID 117398310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).