1-(4-bromo-7-methoxy-1-benzofuran-5-yl)ethanamine

C11H12BrNO2 — CID 117428275

IUPAC1-(4-bromo-7-methoxy-1-benzofuran-5-yl)ethanamine
SMILESCOc1cc(C(C)N)c(Br)c2ccoc12
InChIInChI=1S/C11H12BrNO2/c1-6(13)8-5-9(14-2)11-7(10(8)12)3-4-15-11/h3-6H,13H2,1-2H3
InChIKeyFYKHFCNAMZAKQZ-UHFFFAOYSA-N
MW270.13 g/mol
LogP3.22
Rot. Bonds2

About 1-(4-bromo-7-methoxy-1-benzofuran-5-yl)ethanamine

1-(4-bromo-7-methoxy-1-benzofuran-5-yl)ethanamine (PubChem CID 117428275) has the molecular formula C11H12BrNO2 and a molecular weight of 270.13 g/mol. Its IUPAC name is 1-(4-bromo-7-methoxy-1-benzofuran-5-yl)ethanamine.

Molecular Properties

Compound Name1-(4-bromo-7-methoxy-1-benzofuran-5-yl)ethanamine
PubChem CID117428275
Molecular FormulaC11H12BrNO2
Molecular Weight270.13 g/mol
Exact Mass269.01
IUPAC Name1-(4-bromo-7-methoxy-1-benzofuran-5-yl)ethanamine
SMILESCOc1cc(C(C)N)c(Br)c2ccoc12
InChIInChI=1S/C11H12BrNO2/c1-6(13)8-5-9(14-2)11-7(10(8)12)3-4-15-11/h3-6H,13H2,1-2H3
InChIKeyFYKHFCNAMZAKQZ-UHFFFAOYSA-N
XLogP3.22
TPSA48.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.13
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-2-(4-chloro-7-methoxy-1-benzofuran-5-yl)acetic acid
CID 117392007
1-(4-bromo-7-methoxy-1-benzofuran-5-yl)cyclopropan-1-amine
CID 117452995
3-(4-bromo-7-methoxy-1-benzofuran-5-yl)propan-1-amine
CID 117456968
1-(7-methoxy-1-benzofuran-4-yl)propan-2-amine
CID 117293594
(1R)-1-(5-bromo-1-benzofuran-7-yl)ethanamine
CID 155289805
2-(4-bromo-7-methoxy-1-benzofuran-5-yl)-2-methylpyrrolidine
CID 117494831
1-(4-chloro-7-methoxy-1-benzofuran-5-yl)propan-2-ol
CID 117354020
4-chloro-7-methoxy-1-benzofuran-5-carboxylic acid
CID 117325855
2-(1-aminoethyl)-5-bromo-4-methoxyphenol
CID 84705553
(3-bromo-2,4-dimethoxyphenyl)-(2-bromofuran-3-yl)methanamine
CID 106851976
5,7-di(propan-2-yl)-1-benzofuran-4-amine
CID 176877209
5-(7-methoxy-1-benzofuran-4-yl)-1,2-oxazol-3-amine
CID 117332191

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromo-7-methoxy-1-benzofuran-5-yl)ethanamine?
The IUPAC name of 1-(4-bromo-7-methoxy-1-benzofuran-5-yl)ethanamine (CID 117428275) is 1-(4-bromo-7-methoxy-1-benzofuran-5-yl)ethanamine.
What is the SMILES notation for 1-(4-bromo-7-methoxy-1-benzofuran-5-yl)ethanamine?
The canonical SMILES for 1-(4-bromo-7-methoxy-1-benzofuran-5-yl)ethanamine is COc1cc(C(C)N)c(Br)c2ccoc12.
What is the InChIKey of 1-(4-bromo-7-methoxy-1-benzofuran-5-yl)ethanamine?
The InChIKey is FYKHFCNAMZAKQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12BrNO2/c1-6(13)8-5-9(14-2)11-7(10(8)12)3-4-15-11/h3-6H,13H2,1-2H3.
What are the key properties of 1-(4-bromo-7-methoxy-1-benzofuran-5-yl)ethanamine?
1-(4-bromo-7-methoxy-1-benzofuran-5-yl)ethanamine has a molecular weight of 270.13 g/mol, XLogP of 3.22, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromo-7-methoxy-1-benzofuran-5-yl)ethanamine is sourced from PubChem (CID 117428275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).