5-(5-bromo-2-fluorophenyl)-N-methylthiophen-2-amine

C11H9BrFNS — CID 82073180

IUPAC5-(5-bromo-2-fluorophenyl)-N-methylthiophen-2-amine
SMILESCNc1ccc(-c2cc(Br)ccc2F)s1
InChIInChI=1S/C11H9BrFNS/c1-14-11-5-4-10(15-11)8-6-7(12)2-3-9(8)13/h2-6,14H,1H3
InChIKeyOUBROOJWBRIHFE-UHFFFAOYSA-N
MW286.17 g/mol
LogP4.36
Rot. Bonds2

About 5-(5-bromo-2-fluorophenyl)-N-methylthiophen-2-amine

5-(5-bromo-2-fluorophenyl)-N-methylthiophen-2-amine (PubChem CID 82073180) has the molecular formula C11H9BrFNS and a molecular weight of 286.17 g/mol. Its IUPAC name is 5-(5-bromo-2-fluorophenyl)-N-methylthiophen-2-amine.

Molecular Properties

Compound Name5-(5-bromo-2-fluorophenyl)-N-methylthiophen-2-amine
PubChem CID82073180
Molecular FormulaC11H9BrFNS
Molecular Weight286.17 g/mol
Exact Mass284.96
IUPAC Name5-(5-bromo-2-fluorophenyl)-N-methylthiophen-2-amine
SMILESCNc1ccc(-c2cc(Br)ccc2F)s1
InChIInChI=1S/C11H9BrFNS/c1-14-11-5-4-10(15-11)8-6-7(12)2-3-9(8)13/h2-6,14H,1H3
InChIKeyOUBROOJWBRIHFE-UHFFFAOYSA-N
XLogP4.36
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.17
LogP ≤ 54.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-(5-bromo-2-fluorophenyl)-N-methylthiophen-2-amine?
The IUPAC name of 5-(5-bromo-2-fluorophenyl)-N-methylthiophen-2-amine (CID 82073180) is 5-(5-bromo-2-fluorophenyl)-N-methylthiophen-2-amine.
What is the SMILES notation for 5-(5-bromo-2-fluorophenyl)-N-methylthiophen-2-amine?
The canonical SMILES for 5-(5-bromo-2-fluorophenyl)-N-methylthiophen-2-amine is CNc1ccc(-c2cc(Br)ccc2F)s1.
What is the InChIKey of 5-(5-bromo-2-fluorophenyl)-N-methylthiophen-2-amine?
The InChIKey is OUBROOJWBRIHFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9BrFNS/c1-14-11-5-4-10(15-11)8-6-7(12)2-3-9(8)13/h2-6,14H,1H3.
What are the key properties of 5-(5-bromo-2-fluorophenyl)-N-methylthiophen-2-amine?
5-(5-bromo-2-fluorophenyl)-N-methylthiophen-2-amine has a molecular weight of 286.17 g/mol, XLogP of 4.36, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5-bromo-2-fluorophenyl)-N-methylthiophen-2-amine is sourced from PubChem (CID 82073180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).