2-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)ethanamine

C10H12BrNO2 — CID 82050877

IUPAC2-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)ethanamine
SMILESNCCc1cc2c(cc1Br)OCCO2
InChIInChI=1S/C10H12BrNO2/c11-8-6-10-9(13-3-4-14-10)5-7(8)1-2-12/h5-6H,1-4,12H2
InChIKeyXRPPXMCLXBHMJT-UHFFFAOYSA-N
MW258.12 g/mol
LogP1.72
Rot. Bonds2

About 2-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)ethanamine

2-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)ethanamine (PubChem CID 82050877) has the molecular formula C10H12BrNO2 and a molecular weight of 258.12 g/mol. Its IUPAC name is 2-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)ethanamine.

Molecular Properties

Compound Name2-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)ethanamine
PubChem CID82050877
Molecular FormulaC10H12BrNO2
Molecular Weight258.12 g/mol
Exact Mass257.01
IUPAC Name2-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)ethanamine
SMILESNCCc1cc2c(cc1Br)OCCO2
InChIInChI=1S/C10H12BrNO2/c11-8-6-10-9(13-3-4-14-10)5-7(8)1-2-12/h5-6H,1-4,12H2
InChIKeyXRPPXMCLXBHMJT-UHFFFAOYSA-N
XLogP1.72
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.12
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)propanal
CID 117430265
2-(5-bromo-6-ethyl-2,3-dihydro-1,4-benzodioxin-7-yl)ethanamine
CID 117460829
2-[6-(1,1-difluoroethyl)-2,3-dihydro-1,4-benzodioxin-7-yl]ethanamine
CID 84703800
O-[2-(6-bromo-1,3-benzodioxol-5-yl)ethyl]hydroxylamine
CID 117403795
4-[(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)methylsulfanyl]aniline
CID 43299353
3-(7-bromo-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)propanoic acid
CID 117484741
2-(2-bromo-4,5-difluorophenyl)ethanamine;hydrochloride
CID 170912586
N-[(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]ethanamine
CID 60685789
N'-[(6-bromo-1,3-benzodioxol-5-yl)methyl]propane-1,3-diamine
CID 60887613
(6-bromo-1,3-benzodioxol-5-yl)methylhydrazine
CID 16772287
N'-[(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]-N',2,2-trimethylpropane-1,3-diamine;hydrochloride
CID 119928952
2-[7-(2-fluoropropan-2-yl)-3,4-dihydro-2H-1,5-benzodioxepin-8-yl]ethanamine
CID 117386152

Frequently Asked Questions

What is the IUPAC name of 2-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)ethanamine?
The IUPAC name of 2-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)ethanamine (CID 82050877) is 2-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)ethanamine.
What is the SMILES notation for 2-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)ethanamine?
The canonical SMILES for 2-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)ethanamine is NCCc1cc2c(cc1Br)OCCO2.
What is the InChIKey of 2-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)ethanamine?
The InChIKey is XRPPXMCLXBHMJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12BrNO2/c11-8-6-10-9(13-3-4-14-10)5-7(8)1-2-12/h5-6H,1-4,12H2.
What are the key properties of 2-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)ethanamine?
2-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)ethanamine has a molecular weight of 258.12 g/mol, XLogP of 1.72, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)ethanamine is sourced from PubChem (CID 82050877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).