1-(5-bromo-2-methylthiophen-3-yl)-N-methyl-1-(2,3,4-trifluorophenyl)methanamine

C13H11BrF3NS — CID 79749290

IUPAC1-(5-bromo-2-methylthiophen-3-yl)-N-methyl-1-(2,3,4-trifluorophenyl)methanamine
SMILESCNC(c1cc(Br)sc1C)c1ccc(F)c(F)c1F
InChIInChI=1S/C13H11BrF3NS/c1-6-8(5-10(14)19-6)13(18-2)7-3-4-9(15)12(17)11(7)16/h3-5,13,18H,1-2H3
InChIKeyIXZHQFJPFKLXPV-UHFFFAOYSA-N
MW350.20 g/mol
LogP4.55
Rot. Bonds3

About 1-(5-bromo-2-methylthiophen-3-yl)-N-methyl-1-(2,3,4-trifluorophenyl)methanamine

1-(5-bromo-2-methylthiophen-3-yl)-N-methyl-1-(2,3,4-trifluorophenyl)methanamine (PubChem CID 79749290) has the molecular formula C13H11BrF3NS and a molecular weight of 350.20 g/mol. Its IUPAC name is 1-(5-bromo-2-methylthiophen-3-yl)-N-methyl-1-(2,3,4-trifluorophenyl)methanamine.

Molecular Properties

Compound Name1-(5-bromo-2-methylthiophen-3-yl)-N-methyl-1-(2,3,4-trifluorophenyl)methanamine
PubChem CID79749290
Molecular FormulaC13H11BrF3NS
Molecular Weight350.20 g/mol
Exact Mass348.97
IUPAC Name1-(5-bromo-2-methylthiophen-3-yl)-N-methyl-1-(2,3,4-trifluorophenyl)methanamine
SMILESCNC(c1cc(Br)sc1C)c1ccc(F)c(F)c1F
InChIInChI=1S/C13H11BrF3NS/c1-6-8(5-10(14)19-6)13(18-2)7-3-4-9(15)12(17)11(7)16/h3-5,13,18H,1-2H3
InChIKeyIXZHQFJPFKLXPV-UHFFFAOYSA-N
XLogP4.55
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.20
LogP ≤ 54.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

1-(2-bromo-4-chlorophenyl)-1-(5-bromo-2-methylthiophen-3-yl)-N-methylmethanamine
CID 114024441
1-(5-bromo-2-methylthiophen-3-yl)-1-(3-chloro-2-fluorophenyl)-N-methylmethanamine
CID 81265603
1-(2-bromo-5-methylphenyl)-N-methyl-1-(2,3,4-trifluorophenyl)methanamine
CID 115855163
1-(2-bromofuran-3-yl)-1-(5-bromo-2-methylthiophen-3-yl)-N-methylmethanamine
CID 106851847
1-(2-bromo-5-fluorophenyl)-N-methyl-1-(2,3,4-trifluorophenyl)methanamine
CID 115855144
1-(4-fluoro-3-methylphenyl)-N-methyl-1-(2,3,4-trifluorophenyl)methanamine
CID 62965139
1-(3-fluoro-4-methylphenyl)-N-methyl-1-(2,3,4-trifluorophenyl)methanamine
CID 62963780
N-methyl-1-(3-methylphenyl)-1-(2,3,4-trifluorophenyl)methanamine
CID 62965810
1-(5-chlorothiophen-2-yl)-N-methyl-1-(2,3,4-trifluorophenyl)methanamine
CID 79749216
1-(5-bromothiophen-2-yl)-1-(2,3-difluoro-4-methylphenyl)-N-methylmethanamine
CID 107513386
N-[(4-bromo-5-methylthiophen-2-yl)-(2,3,4-trifluorophenyl)methyl]ethanamine
CID 102827561
1-(5-bromo-2-methylthiophen-3-yl)-1-(6-bromonaphthalen-2-yl)-N-methylmethanamine
CID 115353809

Frequently Asked Questions

What is the IUPAC name of 1-(5-bromo-2-methylthiophen-3-yl)-N-methyl-1-(2,3,4-trifluorophenyl)methanamine?
The IUPAC name of 1-(5-bromo-2-methylthiophen-3-yl)-N-methyl-1-(2,3,4-trifluorophenyl)methanamine (CID 79749290) is 1-(5-bromo-2-methylthiophen-3-yl)-N-methyl-1-(2,3,4-trifluorophenyl)methanamine.
What is the SMILES notation for 1-(5-bromo-2-methylthiophen-3-yl)-N-methyl-1-(2,3,4-trifluorophenyl)methanamine?
The canonical SMILES for 1-(5-bromo-2-methylthiophen-3-yl)-N-methyl-1-(2,3,4-trifluorophenyl)methanamine is CNC(c1cc(Br)sc1C)c1ccc(F)c(F)c1F.
What is the InChIKey of 1-(5-bromo-2-methylthiophen-3-yl)-N-methyl-1-(2,3,4-trifluorophenyl)methanamine?
The InChIKey is IXZHQFJPFKLXPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11BrF3NS/c1-6-8(5-10(14)19-6)13(18-2)7-3-4-9(15)12(17)11(7)16/h3-5,13,18H,1-2H3.
What are the key properties of 1-(5-bromo-2-methylthiophen-3-yl)-N-methyl-1-(2,3,4-trifluorophenyl)methanamine?
1-(5-bromo-2-methylthiophen-3-yl)-N-methyl-1-(2,3,4-trifluorophenyl)methanamine has a molecular weight of 350.20 g/mol, XLogP of 4.55, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromo-2-methylthiophen-3-yl)-N-methyl-1-(2,3,4-trifluorophenyl)methanamine is sourced from PubChem (CID 79749290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).