2-(7-bromo-1-benzofuran-3-yl)ethanamine

C10H10BrNO — CID 81048635

IUPAC2-(7-bromo-1-benzofuran-3-yl)ethanamine
SMILESNCCc1coc2c(Br)cccc12
InChIInChI=1S/C10H10BrNO/c11-9-3-1-2-8-7(4-5-12)6-13-10(8)9/h1-3,6H,4-5,12H2
InChIKeyYJRFYIWOIRIKLO-UHFFFAOYSA-N
MW240.10 g/mol
LogP2.70
Rot. Bonds2

About 2-(7-bromo-1-benzofuran-3-yl)ethanamine

2-(7-bromo-1-benzofuran-3-yl)ethanamine (PubChem CID 81048635) has the molecular formula C10H10BrNO and a molecular weight of 240.10 g/mol. Its IUPAC name is 2-(7-bromo-1-benzofuran-3-yl)ethanamine.

Molecular Properties

Compound Name2-(7-bromo-1-benzofuran-3-yl)ethanamine
PubChem CID81048635
Molecular FormulaC10H10BrNO
Molecular Weight240.10 g/mol
Exact Mass238.99
IUPAC Name2-(7-bromo-1-benzofuran-3-yl)ethanamine
SMILESNCCc1coc2c(Br)cccc12
InChIInChI=1S/C10H10BrNO/c11-9-3-1-2-8-7(4-5-12)6-13-10(8)9/h1-3,6H,4-5,12H2
InChIKeyYJRFYIWOIRIKLO-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

2-(7-bromo-1-benzofuran-3-yl)ethanol
CID 83526831
3-(7-bromo-1-benzofuran-3-yl)-N-methylpropan-1-amine
CID 117197482
3-benzyl-7-bromo-1-benzofuran
CID 59344886
2-[3-(2-aminoethyl)-2-bromophenyl]ethanamine
CID 170868655
3-(2-aminoethyl)chromen-4-one
CID 55212083
2-(4,7-dichloro-1-benzofuran-3-yl)ethanamine
CID 81047859
2-(2,4-dibromophenyl)ethanamine
CID 73012416
2-(3-bromo-2-ethoxyphenyl)ethanamine
CID 61391880
2-furo[3,2-c]pyridin-3-ylethanamine
CID 10261395
10-(1-benzofuran-3-yl)decan-1-amine
CID 152675893
2-[3-bromo-2-(thiophen-2-ylmethoxy)phenyl]ethanamine
CID 61391970
(4-bromo-1-benzofuran-3-yl)methanol
CID 84690895

Frequently Asked Questions

What is the IUPAC name of 2-(7-bromo-1-benzofuran-3-yl)ethanamine?
The IUPAC name of 2-(7-bromo-1-benzofuran-3-yl)ethanamine (CID 81048635) is 2-(7-bromo-1-benzofuran-3-yl)ethanamine.
What is the SMILES notation for 2-(7-bromo-1-benzofuran-3-yl)ethanamine?
The canonical SMILES for 2-(7-bromo-1-benzofuran-3-yl)ethanamine is NCCc1coc2c(Br)cccc12.
What is the InChIKey of 2-(7-bromo-1-benzofuran-3-yl)ethanamine?
The InChIKey is YJRFYIWOIRIKLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10BrNO/c11-9-3-1-2-8-7(4-5-12)6-13-10(8)9/h1-3,6H,4-5,12H2.
What are the key properties of 2-(7-bromo-1-benzofuran-3-yl)ethanamine?
2-(7-bromo-1-benzofuran-3-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-(7-bromo-1-benzofuran-3-yl)ethanamine is sourced from PubChem (CID 81048635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).