N-methyl-1-(4-methylsulfanylphenyl)-1-[2-(trifluoromethyl)phenyl]methanamine

C16H16F3NS — CID 115853933

IUPACN-methyl-1-(4-methylsulfanylphenyl)-1-[2-(trifluoromethyl)phenyl]methanamine
SMILESCNC(c1ccc(SC)cc1)c1ccccc1C(F)(F)F
InChIInChI=1S/C16H16F3NS/c1-20-15(11-7-9-12(21-2)10-8-11)13-5-3-4-6-14(13)16(17,18)19/h3-10,15,20H,1-2H3
InChIKeyDQPBSXGSDJLGEF-UHFFFAOYSA-N
MW311.37 g/mol
LogP4.74
Rot. Bonds4

About N-methyl-1-(4-methylsulfanylphenyl)-1-[2-(trifluoromethyl)phenyl]methanamine

N-methyl-1-(4-methylsulfanylphenyl)-1-[2-(trifluoromethyl)phenyl]methanamine (PubChem CID 115853933) has the molecular formula C16H16F3NS and a molecular weight of 311.37 g/mol. Its IUPAC name is N-methyl-1-(4-methylsulfanylphenyl)-1-[2-(trifluoromethyl)phenyl]methanamine.

Molecular Properties

Compound NameN-methyl-1-(4-methylsulfanylphenyl)-1-[2-(trifluoromethyl)phenyl]methanamine
PubChem CID115853933
Molecular FormulaC16H16F3NS
Molecular Weight311.37 g/mol
Exact Mass311.10
IUPAC NameN-methyl-1-(4-methylsulfanylphenyl)-1-[2-(trifluoromethyl)phenyl]methanamine
SMILESCNC(c1ccc(SC)cc1)c1ccccc1C(F)(F)F
InChIInChI=1S/C16H16F3NS/c1-20-15(11-7-9-12(21-2)10-8-11)13-5-3-4-6-14(13)16(17,18)19/h3-10,15,20H,1-2H3
InChIKeyDQPBSXGSDJLGEF-UHFFFAOYSA-N
XLogP4.74
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.37
LogP ≤ 54.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-methyl-1-(6-methyl-3-pyridinyl)-1-[2-(trifluoromethyl)phenyl]methanamine
CID 115854651
1-[4-fluoro-3-(trifluoromethyl)phenyl]-N-methyl-1-(2-methylphenyl)methanamine
CID 115794840
N-methyl-1-(4-methylsulfanylphenyl)-1-quinolin-8-ylmethanamine
CID 105021332
1-(2-bromophenyl)-N-methyl-1-[2-(trifluoromethyl)phenyl]methanamine
CID 62801643
1-(5-chloro-2-fluorophenyl)-N-methyl-1-[2-(trifluoromethyl)phenyl]methanamine
CID 114886168
N-methyl-1-(2-methylfuran-3-yl)-1-[2-(trifluoromethyl)phenyl]methanamine
CID 104789859
1-(2,3-dimethylphenyl)-N-methyl-1-[2-(trifluoromethyl)phenyl]methanamine
CID 115850344
N-methyl-1-(6-methyl-2-pyridinyl)-1-[2-(trifluoromethyl)phenyl]methanamine
CID 63555777
1-(5-fluoro-2-pyridinyl)-N-methyl-1-[2-(trifluoromethyl)phenyl]methanamine
CID 79713415
1-(4-bromophenyl)-N-methyl-1-(4-methylsulfanylphenyl)methanamine
CID 79215702
4-[methylamino-(4-methylsulfanylphenyl)methyl]aniline
CID 116952045
1-(5-chlorofuran-2-yl)-N-methyl-1-[2-(trifluoromethyl)phenyl]methanamine
CID 106691982

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-(4-methylsulfanylphenyl)-1-[2-(trifluoromethyl)phenyl]methanamine?
The IUPAC name of N-methyl-1-(4-methylsulfanylphenyl)-1-[2-(trifluoromethyl)phenyl]methanamine (CID 115853933) is N-methyl-1-(4-methylsulfanylphenyl)-1-[2-(trifluoromethyl)phenyl]methanamine.
What is the SMILES notation for N-methyl-1-(4-methylsulfanylphenyl)-1-[2-(trifluoromethyl)phenyl]methanamine?
The canonical SMILES for N-methyl-1-(4-methylsulfanylphenyl)-1-[2-(trifluoromethyl)phenyl]methanamine is CNC(c1ccc(SC)cc1)c1ccccc1C(F)(F)F.
What is the InChIKey of N-methyl-1-(4-methylsulfanylphenyl)-1-[2-(trifluoromethyl)phenyl]methanamine?
The InChIKey is DQPBSXGSDJLGEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16F3NS/c1-20-15(11-7-9-12(21-2)10-8-11)13-5-3-4-6-14(13)16(17,18)19/h3-10,15,20H,1-2H3.
What are the key properties of N-methyl-1-(4-methylsulfanylphenyl)-1-[2-(trifluoromethyl)phenyl]methanamine?
N-methyl-1-(4-methylsulfanylphenyl)-1-[2-(trifluoromethyl)phenyl]methanamine has a molecular weight of 311.37 g/mol, XLogP of 4.74, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-(4-methylsulfanylphenyl)-1-[2-(trifluoromethyl)phenyl]methanamine is sourced from PubChem (CID 115853933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).