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

C12H9BrCl2FNS — CID 43486843

IUPAC1-(2-bromo-4-fluorophenyl)-1-(2,5-dichlorothiophen-3-yl)-N-methylmethanamine
SMILESCNC(c1ccc(F)cc1Br)c1cc(Cl)sc1Cl
InChIInChI=1S/C12H9BrCl2FNS/c1-17-11(8-5-10(14)18-12(8)15)7-3-2-6(16)4-9(7)13/h2-5,11,17H,1H3
InChIKeyMGROOTKRWJEFIN-UHFFFAOYSA-N
MW369.09 g/mol
LogP5.27
Rot. Bonds3

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

1-(2-bromo-4-fluorophenyl)-1-(2,5-dichlorothiophen-3-yl)-N-methylmethanamine (PubChem CID 43486843) has the molecular formula C12H9BrCl2FNS and a molecular weight of 369.09 g/mol. Its IUPAC name is 1-(2-bromo-4-fluorophenyl)-1-(2,5-dichlorothiophen-3-yl)-N-methylmethanamine.

Molecular Properties

Compound Name1-(2-bromo-4-fluorophenyl)-1-(2,5-dichlorothiophen-3-yl)-N-methylmethanamine
PubChem CID43486843
Molecular FormulaC12H9BrCl2FNS
Molecular Weight369.09 g/mol
Exact Mass366.90
IUPAC Name1-(2-bromo-4-fluorophenyl)-1-(2,5-dichlorothiophen-3-yl)-N-methylmethanamine
SMILESCNC(c1ccc(F)cc1Br)c1cc(Cl)sc1Cl
InChIInChI=1S/C12H9BrCl2FNS/c1-17-11(8-5-10(14)18-12(8)15)7-3-2-6(16)4-9(7)13/h2-5,11,17H,1H3
InChIKeyMGROOTKRWJEFIN-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

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Related Compounds

1-(4-chloro-2-fluorophenyl)-1-(2,5-dichlorothiophen-3-yl)-N-methylmethanamine
CID 43486782
1-(2,5-dichlorothiophen-3-yl)-1-(3-fluorophenyl)-N-methylmethanamine
CID 43486815
1-(2-bromo-4-chlorophenyl)-1-(2,4-difluorophenyl)-N-methylmethanamine
CID 107987368
1-(2,5-dichlorophenyl)-1-(2,5-dichlorothiophen-3-yl)-N-methylmethanamine
CID 43486861
1-(2,5-dichlorothiophen-3-yl)-1-(3,5-difluorophenyl)-N-methylmethanamine
CID 43486794
1-(2-bromo-4-fluorophenyl)-N-methyl-1-(5-methylthiophen-2-yl)methanamine
CID 43480483
1-(4-chloro-2,5-difluorophenyl)-1-(2,5-dichlorothiophen-3-yl)-N-methylmethanamine
CID 82783004
1-(2,5-dichlorothiophen-3-yl)-1-(2,4-dimethylphenyl)-N-methylmethanamine
CID 43486831
1-(2,5-dichlorothiophen-3-yl)-1-(2,6-difluorophenyl)-N-methylmethanamine
CID 43486798
N-[(2-chloro-5-fluorophenyl)-(2,5-dichlorothiophen-3-yl)methyl]ethanamine
CID 107969347
1-(3-bromo-2,4-dimethoxyphenyl)-1-(2,5-dichlorothiophen-3-yl)-N-methylmethanamine
CID 107961378
1-(2-bromo-4-fluorophenyl)-1-(2-methoxyphenyl)-N-methylmethanamine
CID 115793404

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromo-4-fluorophenyl)-1-(2,5-dichlorothiophen-3-yl)-N-methylmethanamine?
The IUPAC name of 1-(2-bromo-4-fluorophenyl)-1-(2,5-dichlorothiophen-3-yl)-N-methylmethanamine (CID 43486843) is 1-(2-bromo-4-fluorophenyl)-1-(2,5-dichlorothiophen-3-yl)-N-methylmethanamine.
What is the SMILES notation for 1-(2-bromo-4-fluorophenyl)-1-(2,5-dichlorothiophen-3-yl)-N-methylmethanamine?
The canonical SMILES for 1-(2-bromo-4-fluorophenyl)-1-(2,5-dichlorothiophen-3-yl)-N-methylmethanamine is CNC(c1ccc(F)cc1Br)c1cc(Cl)sc1Cl.
What is the InChIKey of 1-(2-bromo-4-fluorophenyl)-1-(2,5-dichlorothiophen-3-yl)-N-methylmethanamine?
The InChIKey is MGROOTKRWJEFIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9BrCl2FNS/c1-17-11(8-5-10(14)18-12(8)15)7-3-2-6(16)4-9(7)13/h2-5,11,17H,1H3.
What are the key properties of 1-(2-bromo-4-fluorophenyl)-1-(2,5-dichlorothiophen-3-yl)-N-methylmethanamine?
1-(2-bromo-4-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-(2-bromo-4-fluorophenyl)-1-(2,5-dichlorothiophen-3-yl)-N-methylmethanamine is sourced from PubChem (CID 43486843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).