1-(4-bromo-5-methylthiophen-2-yl)-N-methyl-1-(2,4,6-trifluorophenyl)methanamine

C13H11BrF3NS — CID 102827250

IUPAC1-(4-bromo-5-methylthiophen-2-yl)-N-methyl-1-(2,4,6-trifluorophenyl)methanamine
SMILESCNC(c1cc(Br)c(C)s1)c1c(F)cc(F)cc1F
InChIInChI=1S/C13H11BrF3NS/c1-6-8(14)5-11(19-6)13(18-2)12-9(16)3-7(15)4-10(12)17/h3-5,13,18H,1-2H3
InChIKeyJLKNVBIHZPBMLV-UHFFFAOYSA-N
MW350.20 g/mol
LogP4.55
Rot. Bonds3

About 1-(4-bromo-5-methylthiophen-2-yl)-N-methyl-1-(2,4,6-trifluorophenyl)methanamine

1-(4-bromo-5-methylthiophen-2-yl)-N-methyl-1-(2,4,6-trifluorophenyl)methanamine (PubChem CID 102827250) has the molecular formula C13H11BrF3NS and a molecular weight of 350.20 g/mol. Its IUPAC name is 1-(4-bromo-5-methylthiophen-2-yl)-N-methyl-1-(2,4,6-trifluorophenyl)methanamine.

Molecular Properties

Compound Name1-(4-bromo-5-methylthiophen-2-yl)-N-methyl-1-(2,4,6-trifluorophenyl)methanamine
PubChem CID102827250
Molecular FormulaC13H11BrF3NS
Molecular Weight350.20 g/mol
Exact Mass348.97
IUPAC Name1-(4-bromo-5-methylthiophen-2-yl)-N-methyl-1-(2,4,6-trifluorophenyl)methanamine
SMILESCNC(c1cc(Br)c(C)s1)c1c(F)cc(F)cc1F
InChIInChI=1S/C13H11BrF3NS/c1-6-8(14)5-11(19-6)13(18-2)12-9(16)3-7(15)4-10(12)17/h3-5,13,18H,1-2H3
InChIKeyJLKNVBIHZPBMLV-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

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Related Compounds

1-(4,5-dimethylthiophen-2-yl)-N-methyl-1-(2,4,6-trifluorophenyl)methanamine
CID 65237793
1-(4-bromo-5-methylthiophen-2-yl)-1-(4-bromophenyl)-N-methylmethanamine
CID 102827316
1-(4-bromo-5-methylthiophen-2-yl)-N-methyl-1-(4-methylthiophen-3-yl)methanamine
CID 102827434
N-methyl-1-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-1-(2,4,6-trifluorophenyl)methanamine
CID 43483141
1-(2-bromo-6-fluorophenyl)-1-(4,5-dibromothiophen-2-yl)-N-methylmethanamine
CID 114559095
1-(4-bromo-5-methylthiophen-2-yl)-1-(3-chloro-5-methylphenyl)-N-methylmethanamine
CID 102827385
1-(4-bromo-5-methylthiophen-2-yl)-1-(2-methoxyphenyl)-N-methylmethanamine
CID 102827334
N-[(4-bromo-5-chlorothiophen-2-yl)-(2,4,6-trifluorophenyl)methyl]propan-1-amine
CID 102828676
3-bromo-5-[bromo-(3,4,5-trifluorophenyl)methyl]-2-methylthiophene
CID 102835931
1-(4-bromo-5-methylthiophen-2-yl)-1-(3-chloro-4-methylphenyl)-N-methylmethanamine
CID 102827397
1-(4-bromo-5-methylthiophen-2-yl)-N-methyl-1-naphthalen-1-ylmethanamine
CID 102827456
1-(2,6-difluoro-3-methylphenyl)-1-(4,5-dimethylthiophen-2-yl)-N-methylmethanamine
CID 105027103

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromo-5-methylthiophen-2-yl)-N-methyl-1-(2,4,6-trifluorophenyl)methanamine?
The IUPAC name of 1-(4-bromo-5-methylthiophen-2-yl)-N-methyl-1-(2,4,6-trifluorophenyl)methanamine (CID 102827250) is 1-(4-bromo-5-methylthiophen-2-yl)-N-methyl-1-(2,4,6-trifluorophenyl)methanamine.
What is the SMILES notation for 1-(4-bromo-5-methylthiophen-2-yl)-N-methyl-1-(2,4,6-trifluorophenyl)methanamine?
The canonical SMILES for 1-(4-bromo-5-methylthiophen-2-yl)-N-methyl-1-(2,4,6-trifluorophenyl)methanamine is CNC(c1cc(Br)c(C)s1)c1c(F)cc(F)cc1F.
What is the InChIKey of 1-(4-bromo-5-methylthiophen-2-yl)-N-methyl-1-(2,4,6-trifluorophenyl)methanamine?
The InChIKey is JLKNVBIHZPBMLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11BrF3NS/c1-6-8(14)5-11(19-6)13(18-2)12-9(16)3-7(15)4-10(12)17/h3-5,13,18H,1-2H3.
What are the key properties of 1-(4-bromo-5-methylthiophen-2-yl)-N-methyl-1-(2,4,6-trifluorophenyl)methanamine?
1-(4-bromo-5-methylthiophen-2-yl)-N-methyl-1-(2,4,6-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-(4-bromo-5-methylthiophen-2-yl)-N-methyl-1-(2,4,6-trifluorophenyl)methanamine is sourced from PubChem (CID 102827250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).