N-methyl-1-[5-[3-(trifluoromethyl)phenyl]thiophen-3-yl]methanamine

C13H12F3NS — CID 62585929

IUPACN-methyl-1-[5-[3-(trifluoromethyl)phenyl]thiophen-3-yl]methanamine
SMILESCNCc1csc(-c2cccc(C(F)(F)F)c2)c1
InChIInChI=1S/C13H12F3NS/c1-17-7-9-5-12(18-8-9)10-3-2-4-11(6-10)13(14,15)16/h2-6,8,17H,7H2,1H3
InChIKeyJTUAJMXTZBNTCD-UHFFFAOYSA-N
MW271.31 g/mol
LogP4.15
Rot. Bonds3

About N-methyl-1-[5-[3-(trifluoromethyl)phenyl]thiophen-3-yl]methanamine

N-methyl-1-[5-[3-(trifluoromethyl)phenyl]thiophen-3-yl]methanamine (PubChem CID 62585929) has the molecular formula C13H12F3NS and a molecular weight of 271.31 g/mol. Its IUPAC name is N-methyl-1-[5-[3-(trifluoromethyl)phenyl]thiophen-3-yl]methanamine.

Molecular Properties

Compound NameN-methyl-1-[5-[3-(trifluoromethyl)phenyl]thiophen-3-yl]methanamine
PubChem CID62585929
Molecular FormulaC13H12F3NS
Molecular Weight271.31 g/mol
Exact Mass271.06
IUPAC NameN-methyl-1-[5-[3-(trifluoromethyl)phenyl]thiophen-3-yl]methanamine
SMILESCNCc1csc(-c2cccc(C(F)(F)F)c2)c1
InChIInChI=1S/C13H12F3NS/c1-17-7-9-5-12(18-8-9)10-3-2-4-11(6-10)13(14,15)16/h2-6,8,17H,7H2,1H3
InChIKeyJTUAJMXTZBNTCD-UHFFFAOYSA-N
XLogP4.15
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.31
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-methyl-1-[3-(trifluoromethyl)phenyl]methanamine;molecular hydrogen
CID 145483676
1-(5-dibenzofuran-2-ylthiophen-3-yl)-N-methylmethanamine
CID 63424251
N-methyl-2-[4-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]propan-1-amine
CID 104513426
N-methyl-1-[4-propyl-2-[3-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]methanamine
CID 114363499
2-[[4-(oxiran-2-yl)phenyl]methyl]-4-[3-(trifluoromethyl)phenyl]-1,3-thiazole
CID 143872478
N-methyl-2-[3-(trifluoromethyl)phenyl]ethanamine
CID 23512860
4-[[4-(trifluoromethyl)phenoxy]methyl]-2-[4-(trifluoromethyl)phenyl]thiophene
CID 141057638
4-[[2-[3-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]methyl]benzoic acid
CID 53353917
N-[[4-methyl-3-[3-(trifluoromethyl)phenyl]phenyl]methyl]ethanamine
CID 105408643
N-methyl-1-(5-quinolin-5-ylthiophen-3-yl)methanamine
CID 81224978
1,3-bis(trifluoromethyl)-2-[3-(trifluoromethyl)phenyl]benzene
CID 57112029
2-(methylamino)-1-[4-[3-(trifluoromethyl)phenyl]phenyl]ethanone
CID 146409402

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[5-[3-(trifluoromethyl)phenyl]thiophen-3-yl]methanamine?
The IUPAC name of N-methyl-1-[5-[3-(trifluoromethyl)phenyl]thiophen-3-yl]methanamine (CID 62585929) is N-methyl-1-[5-[3-(trifluoromethyl)phenyl]thiophen-3-yl]methanamine.
What is the SMILES notation for N-methyl-1-[5-[3-(trifluoromethyl)phenyl]thiophen-3-yl]methanamine?
The canonical SMILES for N-methyl-1-[5-[3-(trifluoromethyl)phenyl]thiophen-3-yl]methanamine is CNCc1csc(-c2cccc(C(F)(F)F)c2)c1.
What is the InChIKey of N-methyl-1-[5-[3-(trifluoromethyl)phenyl]thiophen-3-yl]methanamine?
The InChIKey is JTUAJMXTZBNTCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12F3NS/c1-17-7-9-5-12(18-8-9)10-3-2-4-11(6-10)13(14,15)16/h2-6,8,17H,7H2,1H3.
What are the key properties of N-methyl-1-[5-[3-(trifluoromethyl)phenyl]thiophen-3-yl]methanamine?
N-methyl-1-[5-[3-(trifluoromethyl)phenyl]thiophen-3-yl]methanamine has a molecular weight of 271.31 g/mol, XLogP of 4.15, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[5-[3-(trifluoromethyl)phenyl]thiophen-3-yl]methanamine is sourced from PubChem (CID 62585929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).