1-(4-bromo-2-fluorophenyl)-1-(2,5-dichlorothiophen-3-yl)-N-methylmethanamine

C12H9BrCl2FNS — CID 43486772

IUPAC1-(4-bromo-2-fluorophenyl)-1-(2,5-dichlorothiophen-3-yl)-N-methylmethanamine
SMILESCNC(c1ccc(Br)cc1F)c1cc(Cl)sc1Cl
InChIInChI=1S/C12H9BrCl2FNS/c1-17-11(8-5-10(14)18-12(8)15)7-3-2-6(13)4-9(7)16/h2-5,11,17H,1H3
InChIKeyWJEYUDZWSFULBC-UHFFFAOYSA-N
MW369.09 g/mol
LogP5.27
Rot. Bonds3

About 1-(4-bromo-2-fluorophenyl)-1-(2,5-dichlorothiophen-3-yl)-N-methylmethanamine

1-(4-bromo-2-fluorophenyl)-1-(2,5-dichlorothiophen-3-yl)-N-methylmethanamine (PubChem CID 43486772) has the molecular formula C12H9BrCl2FNS and a molecular weight of 369.09 g/mol. Its IUPAC name is 1-(4-bromo-2-fluorophenyl)-1-(2,5-dichlorothiophen-3-yl)-N-methylmethanamine.

Molecular Properties

Compound Name1-(4-bromo-2-fluorophenyl)-1-(2,5-dichlorothiophen-3-yl)-N-methylmethanamine
PubChem CID43486772
Molecular FormulaC12H9BrCl2FNS
Molecular Weight369.09 g/mol
Exact Mass366.90
IUPAC Name1-(4-bromo-2-fluorophenyl)-1-(2,5-dichlorothiophen-3-yl)-N-methylmethanamine
SMILESCNC(c1ccc(Br)cc1F)c1cc(Cl)sc1Cl
InChIInChI=1S/C12H9BrCl2FNS/c1-17-11(8-5-10(14)18-12(8)15)7-3-2-6(13)4-9(7)16/h2-5,11,17H,1H3
InChIKeyWJEYUDZWSFULBC-UHFFFAOYSA-N
XLogP5.27
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500369.09
LogP ≤ 55.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-(4-bromo-2-fluorophenyl)-1-(2,5-dichlorothiophen-3-yl)-N-methylmethanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromo-2-fluorophenyl)-1-(2,5-dichlorothiophen-3-yl)-N-methylmethanamine?
The IUPAC name of 1-(4-bromo-2-fluorophenyl)-1-(2,5-dichlorothiophen-3-yl)-N-methylmethanamine (CID 43486772) is 1-(4-bromo-2-fluorophenyl)-1-(2,5-dichlorothiophen-3-yl)-N-methylmethanamine.
What is the SMILES notation for 1-(4-bromo-2-fluorophenyl)-1-(2,5-dichlorothiophen-3-yl)-N-methylmethanamine?
The canonical SMILES for 1-(4-bromo-2-fluorophenyl)-1-(2,5-dichlorothiophen-3-yl)-N-methylmethanamine is CNC(c1ccc(Br)cc1F)c1cc(Cl)sc1Cl.
What is the InChIKey of 1-(4-bromo-2-fluorophenyl)-1-(2,5-dichlorothiophen-3-yl)-N-methylmethanamine?
The InChIKey is WJEYUDZWSFULBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9BrCl2FNS/c1-17-11(8-5-10(14)18-12(8)15)7-3-2-6(13)4-9(7)16/h2-5,11,17H,1H3.
What are the key properties of 1-(4-bromo-2-fluorophenyl)-1-(2,5-dichlorothiophen-3-yl)-N-methylmethanamine?
1-(4-bromo-2-fluorophenyl)-1-(2,5-dichlorothiophen-3-yl)-N-methylmethanamine has a molecular weight of 369.09 g/mol, XLogP of 5.27, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromo-2-fluorophenyl)-1-(2,5-dichlorothiophen-3-yl)-N-methylmethanamine is sourced from PubChem (CID 43486772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).