(5-bromo-1-benzofuran-2-yl)-(4-fluorophenyl)methanamine

C15H11BrFNO — CID 43149586

IUPAC(5-bromo-1-benzofuran-2-yl)-(4-fluorophenyl)methanamine
SMILESNC(c1ccc(F)cc1)c1cc2cc(Br)ccc2o1
InChIInChI=1S/C15H11BrFNO/c16-11-3-6-13-10(7-11)8-14(19-13)15(18)9-1-4-12(17)5-2-9/h1-8,15H,18H2
InChIKeyXDZPIQXPVSIJGI-UHFFFAOYSA-N
MW320.16 g/mol
LogP4.38
Rot. Bonds2

About (5-bromo-1-benzofuran-2-yl)-(4-fluorophenyl)methanamine

(5-bromo-1-benzofuran-2-yl)-(4-fluorophenyl)methanamine (PubChem CID 43149586) has the molecular formula C15H11BrFNO and a molecular weight of 320.16 g/mol. Its IUPAC name is (5-bromo-1-benzofuran-2-yl)-(4-fluorophenyl)methanamine.

Molecular Properties

Compound Name(5-bromo-1-benzofuran-2-yl)-(4-fluorophenyl)methanamine
PubChem CID43149586
Molecular FormulaC15H11BrFNO
Molecular Weight320.16 g/mol
Exact Mass319.00
IUPAC Name(5-bromo-1-benzofuran-2-yl)-(4-fluorophenyl)methanamine
SMILESNC(c1ccc(F)cc1)c1cc2cc(Br)ccc2o1
InChIInChI=1S/C15H11BrFNO/c16-11-3-6-13-10(7-11)8-14(19-13)15(18)9-1-4-12(17)5-2-9/h1-8,15H,18H2
InChIKeyXDZPIQXPVSIJGI-UHFFFAOYSA-N
XLogP4.38
TPSA39.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.16
LogP ≤ 54.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (5-bromo-1-benzofuran-2-yl)-(4-fluorophenyl)methanamine?
The IUPAC name of (5-bromo-1-benzofuran-2-yl)-(4-fluorophenyl)methanamine (CID 43149586) is (5-bromo-1-benzofuran-2-yl)-(4-fluorophenyl)methanamine.
What is the SMILES notation for (5-bromo-1-benzofuran-2-yl)-(4-fluorophenyl)methanamine?
The canonical SMILES for (5-bromo-1-benzofuran-2-yl)-(4-fluorophenyl)methanamine is NC(c1ccc(F)cc1)c1cc2cc(Br)ccc2o1.
What is the InChIKey of (5-bromo-1-benzofuran-2-yl)-(4-fluorophenyl)methanamine?
The InChIKey is XDZPIQXPVSIJGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11BrFNO/c16-11-3-6-13-10(7-11)8-14(19-13)15(18)9-1-4-12(17)5-2-9/h1-8,15H,18H2.
What are the key properties of (5-bromo-1-benzofuran-2-yl)-(4-fluorophenyl)methanamine?
(5-bromo-1-benzofuran-2-yl)-(4-fluorophenyl)methanamine has a molecular weight of 320.16 g/mol, XLogP of 4.38, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5-bromo-1-benzofuran-2-yl)-(4-fluorophenyl)methanamine is sourced from PubChem (CID 43149586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).