1-(7-bromo-5-fluoro-1-benzofuran-2-yl)propan-1-amine

C11H11BrFNO — CID 65439262

IUPAC1-(7-bromo-5-fluoro-1-benzofuran-2-yl)propan-1-amine
SMILESCCC(N)c1cc2cc(F)cc(Br)c2o1
InChIInChI=1S/C11H11BrFNO/c1-2-9(14)10-4-6-3-7(13)5-8(12)11(6)15-10/h3-5,9H,2,14H2,1H3
InChIKeyKNNVTJFOHNTZMH-UHFFFAOYSA-N
MW272.12 g/mol
LogP3.74
Rot. Bonds2

About 1-(7-bromo-5-fluoro-1-benzofuran-2-yl)propan-1-amine

1-(7-bromo-5-fluoro-1-benzofuran-2-yl)propan-1-amine (PubChem CID 65439262) has the molecular formula C11H11BrFNO and a molecular weight of 272.12 g/mol. Its IUPAC name is 1-(7-bromo-5-fluoro-1-benzofuran-2-yl)propan-1-amine.

Molecular Properties

Compound Name1-(7-bromo-5-fluoro-1-benzofuran-2-yl)propan-1-amine
PubChem CID65439262
Molecular FormulaC11H11BrFNO
Molecular Weight272.12 g/mol
Exact Mass271.00
IUPAC Name1-(7-bromo-5-fluoro-1-benzofuran-2-yl)propan-1-amine
SMILESCCC(N)c1cc2cc(F)cc(Br)c2o1
InChIInChI=1S/C11H11BrFNO/c1-2-9(14)10-4-6-3-7(13)5-8(12)11(6)15-10/h3-5,9H,2,14H2,1H3
InChIKeyKNNVTJFOHNTZMH-UHFFFAOYSA-N
XLogP3.74
TPSA39.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.12
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(7-bromo-5-fluoro-1-benzofuran-2-yl)ethanamine
CID 65440930
(7-bromo-5-fluoro-1-benzofuran-2-yl)-cyclopropylmethanamine
CID 65439100
1-(7-bromo-5-fluoro-1-benzofuran-2-yl)ethanol
CID 65439372
1-(5-bromo-7-methyl-1-benzofuran-2-yl)propan-1-amine
CID 65438311
1-[5-(2-bromo-4,6-difluorophenyl)furan-2-yl]propan-1-amine
CID 62632947
1-(5-chloro-7-methyl-1-benzofuran-2-yl)propan-1-amine
CID 65441138
1-(7-methyl-1-benzofuran-2-yl)propan-1-amine
CID 65440950
1-(5,7-dibromo-1-benzofuran-2-yl)propan-1-ol
CID 15350188
1-(5-bromo-6-fluoro-1-benzofuran-2-yl)butan-1-amine
CID 115410701
1-(7-bromo-5-methyl-1-benzofuran-2-yl)ethanamine
CID 65438612
1-[5-(3-bromo-4-fluorophenyl)furan-2-yl]propan-1-amine
CID 104780350
1-(7-bromo-1-benzofuran-2-yl)-3-phenylpropan-1-amine
CID 105094359

Frequently Asked Questions

What is the IUPAC name of 1-(7-bromo-5-fluoro-1-benzofuran-2-yl)propan-1-amine?
The IUPAC name of 1-(7-bromo-5-fluoro-1-benzofuran-2-yl)propan-1-amine (CID 65439262) is 1-(7-bromo-5-fluoro-1-benzofuran-2-yl)propan-1-amine.
What is the SMILES notation for 1-(7-bromo-5-fluoro-1-benzofuran-2-yl)propan-1-amine?
The canonical SMILES for 1-(7-bromo-5-fluoro-1-benzofuran-2-yl)propan-1-amine is CCC(N)c1cc2cc(F)cc(Br)c2o1.
What is the InChIKey of 1-(7-bromo-5-fluoro-1-benzofuran-2-yl)propan-1-amine?
The InChIKey is KNNVTJFOHNTZMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11BrFNO/c1-2-9(14)10-4-6-3-7(13)5-8(12)11(6)15-10/h3-5,9H,2,14H2,1H3.
What are the key properties of 1-(7-bromo-5-fluoro-1-benzofuran-2-yl)propan-1-amine?
1-(7-bromo-5-fluoro-1-benzofuran-2-yl)propan-1-amine has a molecular weight of 272.12 g/mol, XLogP of 3.74, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(7-bromo-5-fluoro-1-benzofuran-2-yl)propan-1-amine is sourced from PubChem (CID 65439262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).