1-(7-bromo-1-benzofuran-2-yl)-N-ethyl-2-(oxan-4-yl)ethanamine

C17H22BrNO2 — CID 105138802

IUPAC1-(7-bromo-1-benzofuran-2-yl)-N-ethyl-2-(oxan-4-yl)ethanamine
SMILESCCNC(CC1CCOCC1)c1cc2cccc(Br)c2o1
InChIInChI=1S/C17H22BrNO2/c1-2-19-15(10-12-6-8-20-9-7-12)16-11-13-4-3-5-14(18)17(13)21-16/h3-5,11-12,15,19H,2,6-10H2,1H3
InChIKeyCPONYYKPUQYGAK-UHFFFAOYSA-N
MW352.27 g/mol
LogP4.66
Rot. Bonds5

About 1-(7-bromo-1-benzofuran-2-yl)-N-ethyl-2-(oxan-4-yl)ethanamine

1-(7-bromo-1-benzofuran-2-yl)-N-ethyl-2-(oxan-4-yl)ethanamine (PubChem CID 105138802) has the molecular formula C17H22BrNO2 and a molecular weight of 352.27 g/mol. Its IUPAC name is 1-(7-bromo-1-benzofuran-2-yl)-N-ethyl-2-(oxan-4-yl)ethanamine.

Molecular Properties

Compound Name1-(7-bromo-1-benzofuran-2-yl)-N-ethyl-2-(oxan-4-yl)ethanamine
PubChem CID105138802
Molecular FormulaC17H22BrNO2
Molecular Weight352.27 g/mol
Exact Mass351.08
IUPAC Name1-(7-bromo-1-benzofuran-2-yl)-N-ethyl-2-(oxan-4-yl)ethanamine
SMILESCCNC(CC1CCOCC1)c1cc2cccc(Br)c2o1
InChIInChI=1S/C17H22BrNO2/c1-2-19-15(10-12-6-8-20-9-7-12)16-11-13-4-3-5-14(18)17(13)21-16/h3-5,11-12,15,19H,2,6-10H2,1H3
InChIKeyCPONYYKPUQYGAK-UHFFFAOYSA-N
XLogP4.66
TPSA34.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.27
LogP ≤ 54.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(7-bromo-1-benzofuran-2-yl)-2-cyclopentyl-N-methylethanamine
CID 105139091
1-(7-bromo-1-benzofuran-2-yl)-2-cyclobutyl-N-methylethanamine
CID 105151800
N-ethyl-1-(7-fluoro-1-benzofuran-2-yl)-2-(oxolan-3-yl)ethanamine
CID 114730776
2-cyclopentyl-N-ethyl-1-(7-fluoro-1-benzofuran-2-yl)ethanamine
CID 105047443
N-[(7-bromo-1-benzofuran-2-yl)-(4-methylcyclohexyl)methyl]ethanamine
CID 105153854
1-(7-bromo-1-benzofuran-2-yl)-N-ethylpent-4-yn-1-amine
CID 105149223
1-(5-chlorofuran-2-yl)-N-ethyl-2-(oxan-4-yl)ethanamine
CID 106691857
1-(7-bromo-1-benzofuran-2-yl)-N-ethyl-2-methylpropan-1-amine
CID 65438864
1-(7-bromo-1-benzofuran-2-yl)-N-ethyl-4-methoxybutan-1-amine
CID 105190303
1-(7-bromo-1-benzofuran-2-yl)-2-(4-bromothiophen-2-yl)-N-ethylethanamine
CID 105139336
1-(2-bromo-3-fluorophenyl)-N-ethyl-2-(oxan-4-yl)ethanamine
CID 115847099
N-[1-(1-benzofuran-2-yl)-2-(oxan-4-yl)ethyl]propan-1-amine
CID 63091681

Frequently Asked Questions

What is the IUPAC name of 1-(7-bromo-1-benzofuran-2-yl)-N-ethyl-2-(oxan-4-yl)ethanamine?
The IUPAC name of 1-(7-bromo-1-benzofuran-2-yl)-N-ethyl-2-(oxan-4-yl)ethanamine (CID 105138802) is 1-(7-bromo-1-benzofuran-2-yl)-N-ethyl-2-(oxan-4-yl)ethanamine.
What is the SMILES notation for 1-(7-bromo-1-benzofuran-2-yl)-N-ethyl-2-(oxan-4-yl)ethanamine?
The canonical SMILES for 1-(7-bromo-1-benzofuran-2-yl)-N-ethyl-2-(oxan-4-yl)ethanamine is CCNC(CC1CCOCC1)c1cc2cccc(Br)c2o1.
What is the InChIKey of 1-(7-bromo-1-benzofuran-2-yl)-N-ethyl-2-(oxan-4-yl)ethanamine?
The InChIKey is CPONYYKPUQYGAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22BrNO2/c1-2-19-15(10-12-6-8-20-9-7-12)16-11-13-4-3-5-14(18)17(13)21-16/h3-5,11-12,15,19H,2,6-10H2,1H3.
What are the key properties of 1-(7-bromo-1-benzofuran-2-yl)-N-ethyl-2-(oxan-4-yl)ethanamine?
1-(7-bromo-1-benzofuran-2-yl)-N-ethyl-2-(oxan-4-yl)ethanamine has a molecular weight of 352.27 g/mol, XLogP of 4.66, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(7-bromo-1-benzofuran-2-yl)-N-ethyl-2-(oxan-4-yl)ethanamine is sourced from PubChem (CID 105138802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).