N-methyl-1-(3-methylthiophen-2-yl)-1-[4-(trifluoromethyl)phenyl]methanamine

C14H14F3NS — CID 55006914

IUPACN-methyl-1-(3-methylthiophen-2-yl)-1-[4-(trifluoromethyl)phenyl]methanamine
SMILESCNC(c1ccc(C(F)(F)F)cc1)c1sccc1C
InChIInChI=1S/C14H14F3NS/c1-9-7-8-19-13(9)12(18-2)10-3-5-11(6-4-10)14(15,16)17/h3-8,12,18H,1-2H3
InChIKeyZJHFARHIXSKOTE-UHFFFAOYSA-N
MW285.33 g/mol
LogP4.38
Rot. Bonds3

About N-methyl-1-(3-methylthiophen-2-yl)-1-[4-(trifluoromethyl)phenyl]methanamine

N-methyl-1-(3-methylthiophen-2-yl)-1-[4-(trifluoromethyl)phenyl]methanamine (PubChem CID 55006914) has the molecular formula C14H14F3NS and a molecular weight of 285.33 g/mol. Its IUPAC name is N-methyl-1-(3-methylthiophen-2-yl)-1-[4-(trifluoromethyl)phenyl]methanamine.

Molecular Properties

Compound NameN-methyl-1-(3-methylthiophen-2-yl)-1-[4-(trifluoromethyl)phenyl]methanamine
PubChem CID55006914
Molecular FormulaC14H14F3NS
Molecular Weight285.33 g/mol
Exact Mass285.08
IUPAC NameN-methyl-1-(3-methylthiophen-2-yl)-1-[4-(trifluoromethyl)phenyl]methanamine
SMILESCNC(c1ccc(C(F)(F)F)cc1)c1sccc1C
InChIInChI=1S/C14H14F3NS/c1-9-7-8-19-13(9)12(18-2)10-3-5-11(6-4-10)14(15,16)17/h3-8,12,18H,1-2H3
InChIKeyZJHFARHIXSKOTE-UHFFFAOYSA-N
XLogP4.38
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.33
LogP ≤ 54.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-tert-butylphenyl)-N-methyl-1-(3-methylthiophen-2-yl)methanamine
CID 43484390
N-methyl-1-thiophen-2-yl-1-[4-(trifluoromethyl)phenyl]methanamine
CID 43483425
N-methyl-1-(4-methylsulfonylphenyl)-1-(3-methylthiophen-2-yl)methanamine
CID 55007057
N-methyl-1-(3-methylthiophen-2-yl)-1-(4-propan-2-yloxyphenyl)methanamine
CID 43485510
[(4-tert-butylphenyl)-(3-methylthiophen-2-yl)methyl]hydrazine
CID 105300421
1-(3-chlorothiophen-2-yl)-N-methyl-1-[2-methyl-4-(trifluoromethyl)phenyl]methanamine
CID 102757874
1-(4-cyclohexylphenyl)-N-methyl-1-(3-methylthiophen-2-yl)methanamine
CID 43484975
N-methyl-1-(2-methyl-1,3-thiazol-4-yl)-1-[4-(trifluoromethyl)phenyl]methanamine
CID 105142558
N-methyl-1-(2-methylthiophen-3-yl)-1-(3-methylthiophen-2-yl)methanamine
CID 102841226
N-methyl-1-(3-methylthiophen-2-yl)-1-(1H-pyrazol-4-yl)methanamine
CID 82237954
3-[methylamino-(3-methylthiophen-2-yl)methyl]aniline
CID 116951934
1-(3-bromo-4-ethoxyphenyl)-N-methyl-1-(3-methylthiophen-2-yl)methanamine
CID 104657472

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-(3-methylthiophen-2-yl)-1-[4-(trifluoromethyl)phenyl]methanamine?
The IUPAC name of N-methyl-1-(3-methylthiophen-2-yl)-1-[4-(trifluoromethyl)phenyl]methanamine (CID 55006914) is N-methyl-1-(3-methylthiophen-2-yl)-1-[4-(trifluoromethyl)phenyl]methanamine.
What is the SMILES notation for N-methyl-1-(3-methylthiophen-2-yl)-1-[4-(trifluoromethyl)phenyl]methanamine?
The canonical SMILES for N-methyl-1-(3-methylthiophen-2-yl)-1-[4-(trifluoromethyl)phenyl]methanamine is CNC(c1ccc(C(F)(F)F)cc1)c1sccc1C.
What is the InChIKey of N-methyl-1-(3-methylthiophen-2-yl)-1-[4-(trifluoromethyl)phenyl]methanamine?
The InChIKey is ZJHFARHIXSKOTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14F3NS/c1-9-7-8-19-13(9)12(18-2)10-3-5-11(6-4-10)14(15,16)17/h3-8,12,18H,1-2H3.
What are the key properties of N-methyl-1-(3-methylthiophen-2-yl)-1-[4-(trifluoromethyl)phenyl]methanamine?
N-methyl-1-(3-methylthiophen-2-yl)-1-[4-(trifluoromethyl)phenyl]methanamine has a molecular weight of 285.33 g/mol, XLogP of 4.38, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-(3-methylthiophen-2-yl)-1-[4-(trifluoromethyl)phenyl]methanamine is sourced from PubChem (CID 55006914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).