2-(4-bromo-1-benzofuran-2-yl)ethanamine

C10H10BrNO — CID 117119914

IUPAC2-(4-bromo-1-benzofuran-2-yl)ethanamine
SMILESNCCc1cc2c(Br)cccc2o1
InChIInChI=1S/C10H10BrNO/c11-9-2-1-3-10-8(9)6-7(13-10)4-5-12/h1-3,6H,4-5,12H2
InChIKeyNCYDIOPUGTYDCY-UHFFFAOYSA-N
MW240.10 g/mol
LogP2.70
Rot. Bonds2

About 2-(4-bromo-1-benzofuran-2-yl)ethanamine

2-(4-bromo-1-benzofuran-2-yl)ethanamine (PubChem CID 117119914) has the molecular formula C10H10BrNO and a molecular weight of 240.10 g/mol. Its IUPAC name is 2-(4-bromo-1-benzofuran-2-yl)ethanamine.

Molecular Properties

Compound Name2-(4-bromo-1-benzofuran-2-yl)ethanamine
PubChem CID117119914
Molecular FormulaC10H10BrNO
Molecular Weight240.10 g/mol
Exact Mass238.99
IUPAC Name2-(4-bromo-1-benzofuran-2-yl)ethanamine
SMILESNCCc1cc2c(Br)cccc2o1
InChIInChI=1S/C10H10BrNO/c11-9-2-1-3-10-8(9)6-7(13-10)4-5-12/h1-3,6H,4-5,12H2
InChIKeyNCYDIOPUGTYDCY-UHFFFAOYSA-N
XLogP2.70
TPSA39.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.10
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-bromo-1-benzofuran-2-yl)propan-2-one
CID 117194378
1-[(4-bromo-1-benzofuran-2-yl)methyl]-4-methylpiperazine
CID 117172246
2-(6-bromo-1-benzofuran-2-yl)ethanamine
CID 71291046
4-bromo-2-phenyl-1-benzofuran
CID 11277308
5-(4-bromo-1-benzofuran-2-yl)-1H-pyrazol-3-amine
CID 115110035
2-butyl-4-fluoro-1-benzofuran
CID 11240956
2-(3-bromo-2-ethoxyphenyl)ethanamine
CID 61391880
2-[5-(2-bromophenyl)furan-2-yl]ethanamine
CID 170869026
4-bromo-N-[2-(4-bromophenyl)ethyl]-1-benzofuran-2-carboxamide
CID 112529138
2-(6-bromofuro[3,2-b]pyridin-2-yl)ethanamine
CID 170869009
4-chloro-2-ethyl-1-benzofuran
CID 173058646
4-bromo-N-[2-(4-fluorophenyl)ethyl]-1-benzofuran-2-carboxamide
CID 112529086

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromo-1-benzofuran-2-yl)ethanamine?
The IUPAC name of 2-(4-bromo-1-benzofuran-2-yl)ethanamine (CID 117119914) is 2-(4-bromo-1-benzofuran-2-yl)ethanamine.
What is the SMILES notation for 2-(4-bromo-1-benzofuran-2-yl)ethanamine?
The canonical SMILES for 2-(4-bromo-1-benzofuran-2-yl)ethanamine is NCCc1cc2c(Br)cccc2o1.
What is the InChIKey of 2-(4-bromo-1-benzofuran-2-yl)ethanamine?
The InChIKey is NCYDIOPUGTYDCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10BrNO/c11-9-2-1-3-10-8(9)6-7(13-10)4-5-12/h1-3,6H,4-5,12H2.
What are the key properties of 2-(4-bromo-1-benzofuran-2-yl)ethanamine?
2-(4-bromo-1-benzofuran-2-yl)ethanamine has a molecular weight of 240.10 g/mol, XLogP of 2.70, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromo-1-benzofuran-2-yl)ethanamine is sourced from PubChem (CID 117119914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).