1-(2-bromo-6-fluorophenyl)-1-(4,5-dibromothiophen-2-yl)-N-methylmethanamine

C12H9Br3FNS — CID 114559095

IUPAC1-(2-bromo-6-fluorophenyl)-1-(4,5-dibromothiophen-2-yl)-N-methylmethanamine
SMILESCNC(c1cc(Br)c(Br)s1)c1c(F)cccc1Br
InChIInChI=1S/C12H9Br3FNS/c1-17-11(9-5-7(14)12(15)18-9)10-6(13)3-2-4-8(10)16/h2-5,11,17H,1H3
InChIKeyXVHMONHOMKBOKZ-UHFFFAOYSA-N
MW457.99 g/mol
LogP5.48
Rot. Bonds3

About 1-(2-bromo-6-fluorophenyl)-1-(4,5-dibromothiophen-2-yl)-N-methylmethanamine

1-(2-bromo-6-fluorophenyl)-1-(4,5-dibromothiophen-2-yl)-N-methylmethanamine (PubChem CID 114559095) has the molecular formula C12H9Br3FNS and a molecular weight of 457.99 g/mol. Its IUPAC name is 1-(2-bromo-6-fluorophenyl)-1-(4,5-dibromothiophen-2-yl)-N-methylmethanamine.

Molecular Properties

Compound Name1-(2-bromo-6-fluorophenyl)-1-(4,5-dibromothiophen-2-yl)-N-methylmethanamine
PubChem CID114559095
Molecular FormulaC12H9Br3FNS
Molecular Weight457.99 g/mol
Exact Mass454.80
IUPAC Name1-(2-bromo-6-fluorophenyl)-1-(4,5-dibromothiophen-2-yl)-N-methylmethanamine
SMILESCNC(c1cc(Br)c(Br)s1)c1c(F)cccc1Br
InChIInChI=1S/C12H9Br3FNS/c1-17-11(9-5-7(14)12(15)18-9)10-6(13)3-2-4-8(10)16/h2-5,11,17H,1H3
InChIKeyXVHMONHOMKBOKZ-UHFFFAOYSA-N
XLogP5.48
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500457.99
LogP ≤ 55.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-bromo-6-fluorophenyl)-N-methyl-1-(5-methylthiophen-2-yl)methanamine
CID 114558866
2,3-dibromo-5-[bromo-(2-bromo-6-fluorophenyl)methyl]thiophene
CID 114560719
N-[(4,5-dibromothiophen-2-yl)-(2,6-difluorophenyl)methyl]propan-1-amine
CID 80534014
1-(4-bromo-2-fluorophenyl)-1-(4,5-dibromothiophen-2-yl)-N-methylmethanamine
CID 80533162
N-[(5-bromo-4-chlorothiophen-2-yl)-(2-bromo-6-fluorophenyl)methyl]ethanamine
CID 114559092
1-(4,5-dibromothiophen-2-yl)-1-(2,5-difluoro-4-methylphenyl)-N-methylmethanamine
CID 80536245
1-(2-bromo-6-fluorophenyl)-1-(4-chloro-2-fluorophenyl)-N-methylmethanamine
CID 114886903
1-(2-bromo-6-fluorophenyl)-1-(5-bromofuran-2-yl)-N-methylmethanamine
CID 114559081
1-(2-bromo-6-fluorophenyl)-1-(2,6-dimethoxyphenyl)-N-methylmethanamine
CID 114886958
1-(2-bromo-6-fluorophenyl)-1-(4,5-dimethylfuran-2-yl)-N-methylmethanamine
CID 114248992
1-(4-bromo-5-chloro-2-fluorophenyl)-1-(4,5-dibromothiophen-2-yl)-N-methylmethanamine
CID 105398881
1-(4,5-dibromothiophen-2-yl)-N-methyl-1-(4-methylphenyl)methanamine
CID 80532880

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromo-6-fluorophenyl)-1-(4,5-dibromothiophen-2-yl)-N-methylmethanamine?
The IUPAC name of 1-(2-bromo-6-fluorophenyl)-1-(4,5-dibromothiophen-2-yl)-N-methylmethanamine (CID 114559095) is 1-(2-bromo-6-fluorophenyl)-1-(4,5-dibromothiophen-2-yl)-N-methylmethanamine.
What is the SMILES notation for 1-(2-bromo-6-fluorophenyl)-1-(4,5-dibromothiophen-2-yl)-N-methylmethanamine?
The canonical SMILES for 1-(2-bromo-6-fluorophenyl)-1-(4,5-dibromothiophen-2-yl)-N-methylmethanamine is CNC(c1cc(Br)c(Br)s1)c1c(F)cccc1Br.
What is the InChIKey of 1-(2-bromo-6-fluorophenyl)-1-(4,5-dibromothiophen-2-yl)-N-methylmethanamine?
The InChIKey is XVHMONHOMKBOKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9Br3FNS/c1-17-11(9-5-7(14)12(15)18-9)10-6(13)3-2-4-8(10)16/h2-5,11,17H,1H3.
What are the key properties of 1-(2-bromo-6-fluorophenyl)-1-(4,5-dibromothiophen-2-yl)-N-methylmethanamine?
1-(2-bromo-6-fluorophenyl)-1-(4,5-dibromothiophen-2-yl)-N-methylmethanamine has a molecular weight of 457.99 g/mol, XLogP of 5.48, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromo-6-fluorophenyl)-1-(4,5-dibromothiophen-2-yl)-N-methylmethanamine is sourced from PubChem (CID 114559095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).