N-[(4-bromo-6,7-difluoro-1-benzofuran-2-yl)methyl]ethanamine

C11H10BrF2NO — CID 107102342

IUPACN-[(4-bromo-6,7-difluoro-1-benzofuran-2-yl)methyl]ethanamine
SMILESCCNCc1cc2c(Br)cc(F)c(F)c2o1
InChIInChI=1S/C11H10BrF2NO/c1-2-15-5-6-3-7-8(12)4-9(13)10(14)11(7)16-6/h3-4,15H,2,5H2,1H3
InChIKeyQUTHSAPIGSBRIM-UHFFFAOYSA-N
MW290.11 g/mol
LogP3.58
Rot. Bonds3

About N-[(4-bromo-6,7-difluoro-1-benzofuran-2-yl)methyl]ethanamine

N-[(4-bromo-6,7-difluoro-1-benzofuran-2-yl)methyl]ethanamine (PubChem CID 107102342) has the molecular formula C11H10BrF2NO and a molecular weight of 290.11 g/mol. Its IUPAC name is N-[(4-bromo-6,7-difluoro-1-benzofuran-2-yl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(4-bromo-6,7-difluoro-1-benzofuran-2-yl)methyl]ethanamine
PubChem CID107102342
Molecular FormulaC11H10BrF2NO
Molecular Weight290.11 g/mol
Exact Mass288.99
IUPAC NameN-[(4-bromo-6,7-difluoro-1-benzofuran-2-yl)methyl]ethanamine
SMILESCCNCc1cc2c(Br)cc(F)c(F)c2o1
InChIInChI=1S/C11H10BrF2NO/c1-2-15-5-6-3-7-8(12)4-9(13)10(14)11(7)16-6/h3-4,15H,2,5H2,1H3
InChIKeyQUTHSAPIGSBRIM-UHFFFAOYSA-N
XLogP3.58
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.11
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

N-[(4,5,7-trichloro-1-benzofuran-2-yl)methyl]ethanamine
CID 65439392
N-[(5-bromo-3-ethyl-6-fluoro-1-benzofuran-2-yl)methyl]ethanamine
CID 104843224
N-[(9-bromobenzo[f][1]benzofuran-2-yl)methyl]ethanamine
CID 65438638
N-[(4-bromo-7-methyl-1-benzofuran-2-yl)methyl]-2-methylpropan-1-amine
CID 107287166
N-(3-bromo-4-fluorophenyl)-5-(ethylaminomethyl)furan-2-sulfonamide
CID 106078334
N-[(5-bromo-4,7-dichloro-1-benzofuran-2-yl)methyl]-2-methylpropan-1-amine
CID 107662163
N-[[7-bromo-5-fluoro-3-(methoxymethyl)-1-benzofuran-2-yl]methyl]ethanamine
CID 114376801
1-(6,7-difluoro-1-benzofuran-2-yl)-N-methylmethanamine
CID 65441126
N-[(5-bromo-6-fluoro-1-benzofuran-2-yl)methyl]propan-1-amine
CID 115410691
N-[(4-methyl-1-benzofuran-2-yl)methyl]ethanamine
CID 117184721
N-[(4-bromo-2-fluorophenyl)methyl]ethanamine;ethane
CID 143672674
N-[(5-bromo-2,3,4-trimethoxyphenyl)methyl]ethanamine
CID 96709381

Frequently Asked Questions

What is the IUPAC name of N-[(4-bromo-6,7-difluoro-1-benzofuran-2-yl)methyl]ethanamine?
The IUPAC name of N-[(4-bromo-6,7-difluoro-1-benzofuran-2-yl)methyl]ethanamine (CID 107102342) is N-[(4-bromo-6,7-difluoro-1-benzofuran-2-yl)methyl]ethanamine.
What is the SMILES notation for N-[(4-bromo-6,7-difluoro-1-benzofuran-2-yl)methyl]ethanamine?
The canonical SMILES for N-[(4-bromo-6,7-difluoro-1-benzofuran-2-yl)methyl]ethanamine is CCNCc1cc2c(Br)cc(F)c(F)c2o1.
What is the InChIKey of N-[(4-bromo-6,7-difluoro-1-benzofuran-2-yl)methyl]ethanamine?
The InChIKey is QUTHSAPIGSBRIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10BrF2NO/c1-2-15-5-6-3-7-8(12)4-9(13)10(14)11(7)16-6/h3-4,15H,2,5H2,1H3.
What are the key properties of N-[(4-bromo-6,7-difluoro-1-benzofuran-2-yl)methyl]ethanamine?
N-[(4-bromo-6,7-difluoro-1-benzofuran-2-yl)methyl]ethanamine has a molecular weight of 290.11 g/mol, XLogP of 3.58, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-bromo-6,7-difluoro-1-benzofuran-2-yl)methyl]ethanamine is sourced from PubChem (CID 107102342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).