1-(5-bromo-7-fluoro-3-methyl-1-benzofuran-2-yl)ethanamine

C11H11BrFNO — CID 43155146

IUPAC1-(5-bromo-7-fluoro-3-methyl-1-benzofuran-2-yl)ethanamine
SMILESCc1c(C(C)N)oc2c(F)cc(Br)cc12
InChIInChI=1S/C11H11BrFNO/c1-5-8-3-7(12)4-9(13)11(8)15-10(5)6(2)14/h3-4,6H,14H2,1-2H3
InChIKeyOHYDXEGAQUQHPT-UHFFFAOYSA-N
MW272.12 g/mol
LogP3.66
Rot. Bonds1

About 1-(5-bromo-7-fluoro-3-methyl-1-benzofuran-2-yl)ethanamine

1-(5-bromo-7-fluoro-3-methyl-1-benzofuran-2-yl)ethanamine (PubChem CID 43155146) has the molecular formula C11H11BrFNO and a molecular weight of 272.12 g/mol. Its IUPAC name is 1-(5-bromo-7-fluoro-3-methyl-1-benzofuran-2-yl)ethanamine.

Molecular Properties

Compound Name1-(5-bromo-7-fluoro-3-methyl-1-benzofuran-2-yl)ethanamine
PubChem CID43155146
Molecular FormulaC11H11BrFNO
Molecular Weight272.12 g/mol
Exact Mass271.00
IUPAC Name1-(5-bromo-7-fluoro-3-methyl-1-benzofuran-2-yl)ethanamine
SMILESCc1c(C(C)N)oc2c(F)cc(Br)cc12
InChIInChI=1S/C11H11BrFNO/c1-5-8-3-7(12)4-9(13)11(8)15-10(5)6(2)14/h3-4,6H,14H2,1-2H3
InChIKeyOHYDXEGAQUQHPT-UHFFFAOYSA-N
XLogP3.66
TPSA39.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.12
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(5-bromo-7-fluoro-3-methyl-1-benzofuran-2-yl)-N-methylethanamine
CID 61281325
1-(5-bromo-7-fluoro-3-methyl-1-benzofuran-2-yl)-N-ethylethanamine
CID 61281522
2,4-bis(3-amino-5-bromo-7-fluoro-1-benzofuran-2-yl)pentan-3-one
CID 156693009
1-(5,7-ditert-butyl-3-methyl-1-benzofuran-2-yl)ethanamine
CID 43332526
1-(4-bromo-2,6-difluorophenyl)ethanamine
CID 67403497
1-(7-methoxy-3,5-dimethyl-1-benzofuran-2-yl)ethanamine;hydrochloride
CID 54595179
(5-bromo-3-methyl-1-benzofuran-2-yl)-(2-fluorophenyl)methanamine
CID 43149738
N-[1-(5-bromo-3,7-dimethyl-1-benzofuran-2-yl)ethyl]propan-1-amine
CID 63398521
7-bromo-5-fluoro-3-methyl-2-[(2R)-1,1,1-trifluoropropan-2-yl]-1-benzofuran
CID 167238912
5-bromo-7-fluoro-3-methyl-1-benzofuran
CID 70977139
1-(5,7-difluoro-3-methyl-1-benzofuran-2-yl)-2,2,2-trifluoroethanol
CID 166532490
1-(4-bromo-2,6-difluorophenyl)-2-methylpropan-1-amine
CID 83402968

Frequently Asked Questions

What is the IUPAC name of 1-(5-bromo-7-fluoro-3-methyl-1-benzofuran-2-yl)ethanamine?
The IUPAC name of 1-(5-bromo-7-fluoro-3-methyl-1-benzofuran-2-yl)ethanamine (CID 43155146) is 1-(5-bromo-7-fluoro-3-methyl-1-benzofuran-2-yl)ethanamine.
What is the SMILES notation for 1-(5-bromo-7-fluoro-3-methyl-1-benzofuran-2-yl)ethanamine?
The canonical SMILES for 1-(5-bromo-7-fluoro-3-methyl-1-benzofuran-2-yl)ethanamine is Cc1c(C(C)N)oc2c(F)cc(Br)cc12.
What is the InChIKey of 1-(5-bromo-7-fluoro-3-methyl-1-benzofuran-2-yl)ethanamine?
The InChIKey is OHYDXEGAQUQHPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11BrFNO/c1-5-8-3-7(12)4-9(13)11(8)15-10(5)6(2)14/h3-4,6H,14H2,1-2H3.
What are the key properties of 1-(5-bromo-7-fluoro-3-methyl-1-benzofuran-2-yl)ethanamine?
1-(5-bromo-7-fluoro-3-methyl-1-benzofuran-2-yl)ethanamine has a molecular weight of 272.12 g/mol, XLogP of 3.66, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromo-7-fluoro-3-methyl-1-benzofuran-2-yl)ethanamine is sourced from PubChem (CID 43155146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).