2-methyl-N-[[4-(trifluoromethylsulfanyl)phenyl]methyl]propan-1-amine

C12H16F3NS — CID 29298157

IUPAC2-methyl-N-[[4-(trifluoromethylsulfanyl)phenyl]methyl]propan-1-amine
SMILESCC(C)CNCc1ccc(SC(F)(F)F)cc1
InChIInChI=1S/C12H16F3NS/c1-9(2)7-16-8-10-3-5-11(6-4-10)17-12(13,14)15/h3-6,9,16H,7-8H2,1-2H3
InChIKeyDCICYHIJBUQMMZ-UHFFFAOYSA-N
MW263.33 g/mol
LogP4.04
Rot. Bonds5

About 2-methyl-N-[[4-(trifluoromethylsulfanyl)phenyl]methyl]propan-1-amine

2-methyl-N-[[4-(trifluoromethylsulfanyl)phenyl]methyl]propan-1-amine (PubChem CID 29298157) has the molecular formula C12H16F3NS and a molecular weight of 263.33 g/mol. Its IUPAC name is 2-methyl-N-[[4-(trifluoromethylsulfanyl)phenyl]methyl]propan-1-amine.

Molecular Properties

Compound Name2-methyl-N-[[4-(trifluoromethylsulfanyl)phenyl]methyl]propan-1-amine
PubChem CID29298157
Molecular FormulaC12H16F3NS
Molecular Weight263.33 g/mol
Exact Mass263.10
IUPAC Name2-methyl-N-[[4-(trifluoromethylsulfanyl)phenyl]methyl]propan-1-amine
SMILESCC(C)CNCc1ccc(SC(F)(F)F)cc1
InChIInChI=1S/C12H16F3NS/c1-9(2)7-16-8-10-3-5-11(6-4-10)17-12(13,14)15/h3-6,9,16H,7-8H2,1-2H3
InChIKeyDCICYHIJBUQMMZ-UHFFFAOYSA-N
XLogP4.04
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.33
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-methylsulfanyl-N-[[4-(trifluoromethylsulfanyl)phenyl]methyl]propan-1-amine
CID 115757686
2,2-difluoro-N-[[4-(trifluoromethylsulfanyl)phenyl]methyl]ethanamine
CID 115405900
4-methyl-5-[[4-(trifluoromethylsulfanyl)phenyl]methylamino]pentan-2-ol
CID 111448770
2-methylsulfinyl-N-[[4-(trifluoromethylsulfanyl)phenyl]methyl]propan-1-amine
CID 115764125
N-(2-methylpropyl)-2-[[4-(trifluoromethylsulfanyl)phenyl]methylamino]acetamide
CID 115621832
5-methyl-N-[[4-(trifluoromethylsulfanyl)phenyl]methyl]hexan-1-amine
CID 115324925
3-[[4-(trifluoromethylsulfanyl)phenyl]methylamino]propane-1,2-diol
CID 66176743
1-(4-methylphenyl)-N-[[4-(trifluoromethylsulfanyl)phenyl]methyl]methanamine
CID 29273379
N-[[4-(4-fluorophenyl)sulfanylphenyl]methyl]-2-methylpropan-1-amine
CID 63806489
2-methyl-N-[(4-propan-2-ylsulfanylphenyl)methyl]propan-1-amine
CID 63808063
2-(3-methylbutoxy)-N-[[4-(trifluoromethylsulfanyl)phenyl]methyl]ethanamine
CID 63476546
2-methylsulfanyl-N-[[4-(trifluoromethylsulfanyl)phenyl]methyl]ethanamine
CID 60699399

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[[4-(trifluoromethylsulfanyl)phenyl]methyl]propan-1-amine?
The IUPAC name of 2-methyl-N-[[4-(trifluoromethylsulfanyl)phenyl]methyl]propan-1-amine (CID 29298157) is 2-methyl-N-[[4-(trifluoromethylsulfanyl)phenyl]methyl]propan-1-amine.
What is the SMILES notation for 2-methyl-N-[[4-(trifluoromethylsulfanyl)phenyl]methyl]propan-1-amine?
The canonical SMILES for 2-methyl-N-[[4-(trifluoromethylsulfanyl)phenyl]methyl]propan-1-amine is CC(C)CNCc1ccc(SC(F)(F)F)cc1.
What is the InChIKey of 2-methyl-N-[[4-(trifluoromethylsulfanyl)phenyl]methyl]propan-1-amine?
The InChIKey is DCICYHIJBUQMMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16F3NS/c1-9(2)7-16-8-10-3-5-11(6-4-10)17-12(13,14)15/h3-6,9,16H,7-8H2,1-2H3.
What are the key properties of 2-methyl-N-[[4-(trifluoromethylsulfanyl)phenyl]methyl]propan-1-amine?
2-methyl-N-[[4-(trifluoromethylsulfanyl)phenyl]methyl]propan-1-amine has a molecular weight of 263.33 g/mol, XLogP of 4.04, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[[4-(trifluoromethylsulfanyl)phenyl]methyl]propan-1-amine is sourced from PubChem (CID 29298157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).