(5-bromo-7-fluoro-3-propyl-1-benzofuran-2-yl)methanamine

C12H13BrFNO — CID 62379225

IUPAC(5-bromo-7-fluoro-3-propyl-1-benzofuran-2-yl)methanamine
SMILESCCCc1c(CN)oc2c(F)cc(Br)cc12
InChIInChI=1S/C12H13BrFNO/c1-2-3-8-9-4-7(13)5-10(14)12(9)16-11(8)6-15/h4-5H,2-3,6,15H2,1H3
InChIKeyYFNXHBAVKRSCDA-UHFFFAOYSA-N
MW286.14 g/mol
LogP3.75
Rot. Bonds3

About (5-bromo-7-fluoro-3-propyl-1-benzofuran-2-yl)methanamine

(5-bromo-7-fluoro-3-propyl-1-benzofuran-2-yl)methanamine (PubChem CID 62379225) has the molecular formula C12H13BrFNO and a molecular weight of 286.14 g/mol. Its IUPAC name is (5-bromo-7-fluoro-3-propyl-1-benzofuran-2-yl)methanamine.

Molecular Properties

Compound Name(5-bromo-7-fluoro-3-propyl-1-benzofuran-2-yl)methanamine
PubChem CID62379225
Molecular FormulaC12H13BrFNO
Molecular Weight286.14 g/mol
Exact Mass285.02
IUPAC Name(5-bromo-7-fluoro-3-propyl-1-benzofuran-2-yl)methanamine
SMILESCCCc1c(CN)oc2c(F)cc(Br)cc12
InChIInChI=1S/C12H13BrFNO/c1-2-3-8-9-4-7(13)5-10(14)12(9)16-11(8)6-15/h4-5H,2-3,6,15H2,1H3
InChIKeyYFNXHBAVKRSCDA-UHFFFAOYSA-N
XLogP3.75
TPSA39.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.14
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (5-bromo-7-fluoro-3-propyl-1-benzofuran-2-yl)methanamine?
The IUPAC name of (5-bromo-7-fluoro-3-propyl-1-benzofuran-2-yl)methanamine (CID 62379225) is (5-bromo-7-fluoro-3-propyl-1-benzofuran-2-yl)methanamine.
What is the SMILES notation for (5-bromo-7-fluoro-3-propyl-1-benzofuran-2-yl)methanamine?
The canonical SMILES for (5-bromo-7-fluoro-3-propyl-1-benzofuran-2-yl)methanamine is CCCc1c(CN)oc2c(F)cc(Br)cc12.
What is the InChIKey of (5-bromo-7-fluoro-3-propyl-1-benzofuran-2-yl)methanamine?
The InChIKey is YFNXHBAVKRSCDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13BrFNO/c1-2-3-8-9-4-7(13)5-10(14)12(9)16-11(8)6-15/h4-5H,2-3,6,15H2,1H3.
What are the key properties of (5-bromo-7-fluoro-3-propyl-1-benzofuran-2-yl)methanamine?
(5-bromo-7-fluoro-3-propyl-1-benzofuran-2-yl)methanamine has a molecular weight of 286.14 g/mol, XLogP of 3.75, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5-bromo-7-fluoro-3-propyl-1-benzofuran-2-yl)methanamine is sourced from PubChem (CID 62379225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).