1-[2-bromo-5-(trifluoromethyl)phenyl]-1-(5-chloro-4-methylthiophen-2-yl)-N-methylmethanamine

C14H12BrClF3NS — CID 102763792

IUPAC1-[2-bromo-5-(trifluoromethyl)phenyl]-1-(5-chloro-4-methylthiophen-2-yl)-N-methylmethanamine
SMILESCNC(c1cc(C)c(Cl)s1)c1cc(C(F)(F)F)ccc1Br
InChIInChI=1S/C14H12BrClF3NS/c1-7-5-11(21-13(7)16)12(20-2)9-6-8(14(17,18)19)3-4-10(9)15/h3-6,12,20H,1-2H3
InChIKeyNTCQLWYQMOWKCQ-UHFFFAOYSA-N
MW398.68 g/mol
LogP5.80
Rot. Bonds3

About 1-[2-bromo-5-(trifluoromethyl)phenyl]-1-(5-chloro-4-methylthiophen-2-yl)-N-methylmethanamine

1-[2-bromo-5-(trifluoromethyl)phenyl]-1-(5-chloro-4-methylthiophen-2-yl)-N-methylmethanamine (PubChem CID 102763792) has the molecular formula C14H12BrClF3NS and a molecular weight of 398.68 g/mol. Its IUPAC name is 1-[2-bromo-5-(trifluoromethyl)phenyl]-1-(5-chloro-4-methylthiophen-2-yl)-N-methylmethanamine.

Molecular Properties

Compound Name1-[2-bromo-5-(trifluoromethyl)phenyl]-1-(5-chloro-4-methylthiophen-2-yl)-N-methylmethanamine
PubChem CID102763792
Molecular FormulaC14H12BrClF3NS
Molecular Weight398.68 g/mol
Exact Mass396.95
IUPAC Name1-[2-bromo-5-(trifluoromethyl)phenyl]-1-(5-chloro-4-methylthiophen-2-yl)-N-methylmethanamine
SMILESCNC(c1cc(C)c(Cl)s1)c1cc(C(F)(F)F)ccc1Br
InChIInChI=1S/C14H12BrClF3NS/c1-7-5-11(21-13(7)16)12(20-2)9-6-8(14(17,18)19)3-4-10(9)15/h3-6,12,20H,1-2H3
InChIKeyNTCQLWYQMOWKCQ-UHFFFAOYSA-N
XLogP5.80
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500398.68
LogP ≤ 55.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-[2-bromo-5-(trifluoromethyl)phenyl]-1-(5-chloro-4-methylthiophen-2-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

Related Compounds

1-(5-chloro-4-methylthiophen-2-yl)-1-[2-fluoro-5-(trifluoromethyl)phenyl]-N-methylmethanamine
CID 102763742
1-(2-bromo-5-methylphenyl)-1-(5-chloro-4-methylthiophen-2-yl)-N-methylmethanamine
CID 102763637
1-(5-chloro-4-methylthiophen-2-yl)-N-methyl-1-[3-(trifluoromethyl)phenyl]methanamine
CID 102763751
1-(5-chloro-4-methylthiophen-2-yl)-N-methyl-1-[2-(trifluoromethyl)phenyl]methanamine
CID 102763622
1-(5-chloro-4-methylthiophen-2-yl)-1-[4-fluoro-3-(trifluoromethyl)phenyl]-N-methylmethanamine
CID 102763778
1-(5-chloro-4-methylthiophen-2-yl)-1-(2,4-dichlorophenyl)-N-methylmethanamine
CID 102763724
1-[2-bromo-5-(trifluoromethyl)phenyl]-N-methyl-1-(1-methylpyrazol-3-yl)methanamine
CID 103134947
1-(2-bromo-5-iodophenyl)-1-(5-bromo-4-methylthiophen-2-yl)-N-methylmethanamine
CID 114027607
1-(4-bromo-5-chlorothiophen-2-yl)-1-(2-chlorophenyl)-N-methylmethanamine
CID 102828263
1-(5-chloro-4-methylthiophen-2-yl)-1-(2-ethylphenyl)-N-methylmethanamine
CID 102763744
5-[1-bromo-2-[4-(trifluoromethyl)phenyl]ethyl]-2-chloro-3-methylthiophene
CID 102764977
1-[2-bromo-5-(trifluoromethyl)phenyl]-3-ethyl-N-methylpentan-1-amine
CID 105028352

Frequently Asked Questions

What is the IUPAC name of 1-[2-bromo-5-(trifluoromethyl)phenyl]-1-(5-chloro-4-methylthiophen-2-yl)-N-methylmethanamine?
The IUPAC name of 1-[2-bromo-5-(trifluoromethyl)phenyl]-1-(5-chloro-4-methylthiophen-2-yl)-N-methylmethanamine (CID 102763792) is 1-[2-bromo-5-(trifluoromethyl)phenyl]-1-(5-chloro-4-methylthiophen-2-yl)-N-methylmethanamine.
What is the SMILES notation for 1-[2-bromo-5-(trifluoromethyl)phenyl]-1-(5-chloro-4-methylthiophen-2-yl)-N-methylmethanamine?
The canonical SMILES for 1-[2-bromo-5-(trifluoromethyl)phenyl]-1-(5-chloro-4-methylthiophen-2-yl)-N-methylmethanamine is CNC(c1cc(C)c(Cl)s1)c1cc(C(F)(F)F)ccc1Br.
What is the InChIKey of 1-[2-bromo-5-(trifluoromethyl)phenyl]-1-(5-chloro-4-methylthiophen-2-yl)-N-methylmethanamine?
The InChIKey is NTCQLWYQMOWKCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12BrClF3NS/c1-7-5-11(21-13(7)16)12(20-2)9-6-8(14(17,18)19)3-4-10(9)15/h3-6,12,20H,1-2H3.
What are the key properties of 1-[2-bromo-5-(trifluoromethyl)phenyl]-1-(5-chloro-4-methylthiophen-2-yl)-N-methylmethanamine?
1-[2-bromo-5-(trifluoromethyl)phenyl]-1-(5-chloro-4-methylthiophen-2-yl)-N-methylmethanamine has a molecular weight of 398.68 g/mol, XLogP of 5.80, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-bromo-5-(trifluoromethyl)phenyl]-1-(5-chloro-4-methylthiophen-2-yl)-N-methylmethanamine is sourced from PubChem (CID 102763792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).