1-(5-bromo-1-benzofuran-2-yl)-N-[2-(2,2-difluoroethoxy)ethyl]ethanamine

C14H16BrF2NO2 — CID 103082635

IUPAC1-(5-bromo-1-benzofuran-2-yl)-N-[2-(2,2-difluoroethoxy)ethyl]ethanamine
SMILESCC(NCCOCC(F)F)c1cc2cc(Br)ccc2o1
InChIInChI=1S/C14H16BrF2NO2/c1-9(18-4-5-19-8-14(16)17)13-7-10-6-11(15)2-3-12(10)20-13/h2-3,6-7,9,14,18H,4-5,8H2,1H3
InChIKeyOYURGCRZTRWENH-UHFFFAOYSA-N
MW348.19 g/mol
LogP4.13
Rot. Bonds7

About 1-(5-bromo-1-benzofuran-2-yl)-N-[2-(2,2-difluoroethoxy)ethyl]ethanamine

1-(5-bromo-1-benzofuran-2-yl)-N-[2-(2,2-difluoroethoxy)ethyl]ethanamine (PubChem CID 103082635) has the molecular formula C14H16BrF2NO2 and a molecular weight of 348.19 g/mol. Its IUPAC name is 1-(5-bromo-1-benzofuran-2-yl)-N-[2-(2,2-difluoroethoxy)ethyl]ethanamine.

Molecular Properties

Compound Name1-(5-bromo-1-benzofuran-2-yl)-N-[2-(2,2-difluoroethoxy)ethyl]ethanamine
PubChem CID103082635
Molecular FormulaC14H16BrF2NO2
Molecular Weight348.19 g/mol
Exact Mass347.03
IUPAC Name1-(5-bromo-1-benzofuran-2-yl)-N-[2-(2,2-difluoroethoxy)ethyl]ethanamine
SMILESCC(NCCOCC(F)F)c1cc2cc(Br)ccc2o1
InChIInChI=1S/C14H16BrF2NO2/c1-9(18-4-5-19-8-14(16)17)13-7-10-6-11(15)2-3-12(10)20-13/h2-3,6-7,9,14,18H,4-5,8H2,1H3
InChIKeyOYURGCRZTRWENH-UHFFFAOYSA-N
XLogP4.13
TPSA34.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.19
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[1-(5-bromo-1-benzofuran-2-yl)ethyl]-3-ethenoxypropan-1-amine
CID 43207318
2-bromo-N-[1-(5-bromo-1-benzofuran-2-yl)ethyl]prop-2-en-1-amine
CID 113464991
1-N-[1-(5-bromo-1-benzofuran-2-yl)ethyl]-2-N,2-N,3-trimethylbutane-1,2-diamine
CID 43104320
N-[1-(5-bromo-1-benzofuran-2-yl)ethyl]-2,2-diethoxyethanamine
CID 79538274
1-(5-bromo-1-benzofuran-2-yl)-N-(cyclohexylmethyl)ethanamine
CID 43371437
3-[1-(5-bromo-1-benzofuran-2-yl)ethylamino]-2-methylpropan-1-ol
CID 65036942
1-(1-benzofuran-2-yl)-N-(2-ethoxyethyl)ethanamine
CID 43403744
1-(5-bromo-1-benzofuran-2-yl)-N-[(5-methylthiophen-2-yl)methyl]ethanamine
CID 62055857
N-[1-(5-bromo-1-benzofuran-2-yl)ethyl]-4-methylpentan-2-amine
CID 43371885
N-[1-(5-bromo-1-benzofuran-2-yl)ethyl]-1-imidazol-1-ylpropan-2-amine
CID 43749723
1-(5-bromo-1-benzofuran-2-yl)-N-[(1,5-dimethylpyrazol-4-yl)methyl]ethanamine
CID 103922096
1-[1-(5-bromo-1-benzofuran-2-yl)ethylamino]-2-methyl-3-methylsulfanylpropan-2-ol
CID 103921443

Frequently Asked Questions

What is the IUPAC name of 1-(5-bromo-1-benzofuran-2-yl)-N-[2-(2,2-difluoroethoxy)ethyl]ethanamine?
The IUPAC name of 1-(5-bromo-1-benzofuran-2-yl)-N-[2-(2,2-difluoroethoxy)ethyl]ethanamine (CID 103082635) is 1-(5-bromo-1-benzofuran-2-yl)-N-[2-(2,2-difluoroethoxy)ethyl]ethanamine.
What is the SMILES notation for 1-(5-bromo-1-benzofuran-2-yl)-N-[2-(2,2-difluoroethoxy)ethyl]ethanamine?
The canonical SMILES for 1-(5-bromo-1-benzofuran-2-yl)-N-[2-(2,2-difluoroethoxy)ethyl]ethanamine is CC(NCCOCC(F)F)c1cc2cc(Br)ccc2o1.
What is the InChIKey of 1-(5-bromo-1-benzofuran-2-yl)-N-[2-(2,2-difluoroethoxy)ethyl]ethanamine?
The InChIKey is OYURGCRZTRWENH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16BrF2NO2/c1-9(18-4-5-19-8-14(16)17)13-7-10-6-11(15)2-3-12(10)20-13/h2-3,6-7,9,14,18H,4-5,8H2,1H3.
What are the key properties of 1-(5-bromo-1-benzofuran-2-yl)-N-[2-(2,2-difluoroethoxy)ethyl]ethanamine?
1-(5-bromo-1-benzofuran-2-yl)-N-[2-(2,2-difluoroethoxy)ethyl]ethanamine has a molecular weight of 348.19 g/mol, XLogP of 4.13, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromo-1-benzofuran-2-yl)-N-[2-(2,2-difluoroethoxy)ethyl]ethanamine is sourced from PubChem (CID 103082635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).