1-[5-(2-bromo-5-fluorophenyl)thiophen-2-yl]-N-methylmethanamine

C12H11BrFNS — CID 107626547

IUPAC1-[5-(2-bromo-5-fluorophenyl)thiophen-2-yl]-N-methylmethanamine
SMILESCNCc1ccc(-c2cc(F)ccc2Br)s1
InChIInChI=1S/C12H11BrFNS/c1-15-7-9-3-5-12(16-9)10-6-8(14)2-4-11(10)13/h2-6,15H,7H2,1H3
InChIKeyLZKIBFUEXNXICT-UHFFFAOYSA-N
MW300.20 g/mol
LogP4.04
Rot. Bonds3

About 1-[5-(2-bromo-5-fluorophenyl)thiophen-2-yl]-N-methylmethanamine

1-[5-(2-bromo-5-fluorophenyl)thiophen-2-yl]-N-methylmethanamine (PubChem CID 107626547) has the molecular formula C12H11BrFNS and a molecular weight of 300.20 g/mol. Its IUPAC name is 1-[5-(2-bromo-5-fluorophenyl)thiophen-2-yl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[5-(2-bromo-5-fluorophenyl)thiophen-2-yl]-N-methylmethanamine
PubChem CID107626547
Molecular FormulaC12H11BrFNS
Molecular Weight300.20 g/mol
Exact Mass298.98
IUPAC Name1-[5-(2-bromo-5-fluorophenyl)thiophen-2-yl]-N-methylmethanamine
SMILESCNCc1ccc(-c2cc(F)ccc2Br)s1
InChIInChI=1S/C12H11BrFNS/c1-15-7-9-3-5-12(16-9)10-6-8(14)2-4-11(10)13/h2-6,15H,7H2,1H3
InChIKeyLZKIBFUEXNXICT-UHFFFAOYSA-N
XLogP4.04
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.20
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[5-(2-bromo-5-fluorophenyl)thiophen-2-yl]-N-methylmethanamine?
The IUPAC name of 1-[5-(2-bromo-5-fluorophenyl)thiophen-2-yl]-N-methylmethanamine (CID 107626547) is 1-[5-(2-bromo-5-fluorophenyl)thiophen-2-yl]-N-methylmethanamine.
What is the SMILES notation for 1-[5-(2-bromo-5-fluorophenyl)thiophen-2-yl]-N-methylmethanamine?
The canonical SMILES for 1-[5-(2-bromo-5-fluorophenyl)thiophen-2-yl]-N-methylmethanamine is CNCc1ccc(-c2cc(F)ccc2Br)s1.
What is the InChIKey of 1-[5-(2-bromo-5-fluorophenyl)thiophen-2-yl]-N-methylmethanamine?
The InChIKey is LZKIBFUEXNXICT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11BrFNS/c1-15-7-9-3-5-12(16-9)10-6-8(14)2-4-11(10)13/h2-6,15H,7H2,1H3.
What are the key properties of 1-[5-(2-bromo-5-fluorophenyl)thiophen-2-yl]-N-methylmethanamine?
1-[5-(2-bromo-5-fluorophenyl)thiophen-2-yl]-N-methylmethanamine has a molecular weight of 300.20 g/mol, XLogP of 4.04, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(2-bromo-5-fluorophenyl)thiophen-2-yl]-N-methylmethanamine is sourced from PubChem (CID 107626547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).