1-benzothiophen-3-yl-(5-bromo-2-fluorophenyl)methanamine

C15H11BrFNS — CID 43150852

IUPAC1-benzothiophen-3-yl-(5-bromo-2-fluorophenyl)methanamine
SMILESNC(c1cc(Br)ccc1F)c1csc2ccccc12
InChIInChI=1S/C15H11BrFNS/c16-9-5-6-13(17)11(7-9)15(18)12-8-19-14-4-2-1-3-10(12)14/h1-8,15H,18H2
InChIKeyUBUUFGXWZHVIMB-UHFFFAOYSA-N
MW336.23 g/mol
LogP4.85
Rot. Bonds2

About 1-benzothiophen-3-yl-(5-bromo-2-fluorophenyl)methanamine

1-benzothiophen-3-yl-(5-bromo-2-fluorophenyl)methanamine (PubChem CID 43150852) has the molecular formula C15H11BrFNS and a molecular weight of 336.23 g/mol. Its IUPAC name is 1-benzothiophen-3-yl-(5-bromo-2-fluorophenyl)methanamine.

Molecular Properties

Compound Name1-benzothiophen-3-yl-(5-bromo-2-fluorophenyl)methanamine
PubChem CID43150852
Molecular FormulaC15H11BrFNS
Molecular Weight336.23 g/mol
Exact Mass334.98
IUPAC Name1-benzothiophen-3-yl-(5-bromo-2-fluorophenyl)methanamine
SMILESNC(c1cc(Br)ccc1F)c1csc2ccccc12
InChIInChI=1S/C15H11BrFNS/c16-9-5-6-13(17)11(7-9)15(18)12-8-19-14-4-2-1-3-10(12)14/h1-8,15H,18H2
InChIKeyUBUUFGXWZHVIMB-UHFFFAOYSA-N
XLogP4.85
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.23
LogP ≤ 54.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-benzothiophen-3-yl-(5-bromo-2-fluorophenyl)methanamine?
The IUPAC name of 1-benzothiophen-3-yl-(5-bromo-2-fluorophenyl)methanamine (CID 43150852) is 1-benzothiophen-3-yl-(5-bromo-2-fluorophenyl)methanamine.
What is the SMILES notation for 1-benzothiophen-3-yl-(5-bromo-2-fluorophenyl)methanamine?
The canonical SMILES for 1-benzothiophen-3-yl-(5-bromo-2-fluorophenyl)methanamine is NC(c1cc(Br)ccc1F)c1csc2ccccc12.
What is the InChIKey of 1-benzothiophen-3-yl-(5-bromo-2-fluorophenyl)methanamine?
The InChIKey is UBUUFGXWZHVIMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11BrFNS/c16-9-5-6-13(17)11(7-9)15(18)12-8-19-14-4-2-1-3-10(12)14/h1-8,15H,18H2.
What are the key properties of 1-benzothiophen-3-yl-(5-bromo-2-fluorophenyl)methanamine?
1-benzothiophen-3-yl-(5-bromo-2-fluorophenyl)methanamine has a molecular weight of 336.23 g/mol, XLogP of 4.85, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzothiophen-3-yl-(5-bromo-2-fluorophenyl)methanamine is sourced from PubChem (CID 43150852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).