4-(aminomethyl)-N-methyl-N-(1-methylsulfanylpropan-2-yl)-2-(trifluoromethyl)aniline

C13H19F3N2S — CID 112662366

IUPAC4-(aminomethyl)-N-methyl-N-(1-methylsulfanylpropan-2-yl)-2-(trifluoromethyl)aniline
SMILESCSCC(C)N(C)c1ccc(CN)cc1C(F)(F)F
InChIInChI=1S/C13H19F3N2S/c1-9(8-19-3)18(2)12-5-4-10(7-17)6-11(12)13(14,15)16/h4-6,9H,7-8,17H2,1-3H3
InChIKeyGZKMCFNKRBDRBP-UHFFFAOYSA-N
MW292.37 g/mol
LogP3.35
Rot. Bonds5

About 4-(aminomethyl)-N-methyl-N-(1-methylsulfanylpropan-2-yl)-2-(trifluoromethyl)aniline

4-(aminomethyl)-N-methyl-N-(1-methylsulfanylpropan-2-yl)-2-(trifluoromethyl)aniline (PubChem CID 112662366) has the molecular formula C13H19F3N2S and a molecular weight of 292.37 g/mol. Its IUPAC name is 4-(aminomethyl)-N-methyl-N-(1-methylsulfanylpropan-2-yl)-2-(trifluoromethyl)aniline.

Molecular Properties

Compound Name4-(aminomethyl)-N-methyl-N-(1-methylsulfanylpropan-2-yl)-2-(trifluoromethyl)aniline
PubChem CID112662366
Molecular FormulaC13H19F3N2S
Molecular Weight292.37 g/mol
Exact Mass292.12
IUPAC Name4-(aminomethyl)-N-methyl-N-(1-methylsulfanylpropan-2-yl)-2-(trifluoromethyl)aniline
SMILESCSCC(C)N(C)c1ccc(CN)cc1C(F)(F)F
InChIInChI=1S/C13H19F3N2S/c1-9(8-19-3)18(2)12-5-4-10(7-17)6-11(12)13(14,15)16/h4-6,9H,7-8,17H2,1-3H3
InChIKeyGZKMCFNKRBDRBP-UHFFFAOYSA-N
XLogP3.35
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.37
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(bromomethyl)-N-methyl-N-pentan-2-yl-2-(trifluoromethyl)aniline
CID 107080462
4-(bromomethyl)-N-(3,3-dimethylbutan-2-yl)-N-methyl-2-(trifluoromethyl)aniline
CID 107082138
N-[[5-(aminomethyl)-2-fluorophenyl]methyl]-N-methyl-1-methylsulfanylpropan-2-amine
CID 112657864
3-[4-(aminomethyl)-2-(trifluoromethyl)phenyl]sulfanylbutan-2-ol
CID 107772234
4-(aminomethyl)-2-chloro-N-methyl-N-(1-methylsulfanylbutan-2-yl)aniline
CID 112657239
2-(2-aminoethyl)-4-fluoro-N-methyl-N-(1-methylsulfanylpropan-2-yl)aniline
CID 112666798
2-[(1R)-1-aminoethyl]-4-fluoro-N-methyl-N-(1-methylsulfanylpropan-2-yl)aniline
CID 103955080
5-(aminomethyl)-2-fluoro-N-methyl-N-(1-methylsulfanylpropan-2-yl)benzenesulfonamide
CID 112667435
4-fluoro-2-N-methyl-2-N-(1-methylsulfanylpropan-2-yl)benzene-1,2-diamine
CID 112657072
N,2-dimethyl-4-(methylaminomethyl)-N-(1-methylsulfanylpropan-2-yl)aniline
CID 112662365
4-(aminomethyl)-2-(trifluoromethyl)aniline
CID 55255909
[3-(2-methylpropyl)-4-(trifluoromethyl)phenyl]methanamine
CID 155419142

Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-N-methyl-N-(1-methylsulfanylpropan-2-yl)-2-(trifluoromethyl)aniline?
The IUPAC name of 4-(aminomethyl)-N-methyl-N-(1-methylsulfanylpropan-2-yl)-2-(trifluoromethyl)aniline (CID 112662366) is 4-(aminomethyl)-N-methyl-N-(1-methylsulfanylpropan-2-yl)-2-(trifluoromethyl)aniline.
What is the SMILES notation for 4-(aminomethyl)-N-methyl-N-(1-methylsulfanylpropan-2-yl)-2-(trifluoromethyl)aniline?
The canonical SMILES for 4-(aminomethyl)-N-methyl-N-(1-methylsulfanylpropan-2-yl)-2-(trifluoromethyl)aniline is CSCC(C)N(C)c1ccc(CN)cc1C(F)(F)F.
What is the InChIKey of 4-(aminomethyl)-N-methyl-N-(1-methylsulfanylpropan-2-yl)-2-(trifluoromethyl)aniline?
The InChIKey is GZKMCFNKRBDRBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19F3N2S/c1-9(8-19-3)18(2)12-5-4-10(7-17)6-11(12)13(14,15)16/h4-6,9H,7-8,17H2,1-3H3.
What are the key properties of 4-(aminomethyl)-N-methyl-N-(1-methylsulfanylpropan-2-yl)-2-(trifluoromethyl)aniline?
4-(aminomethyl)-N-methyl-N-(1-methylsulfanylpropan-2-yl)-2-(trifluoromethyl)aniline has a molecular weight of 292.37 g/mol, XLogP of 3.35, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-N-methyl-N-(1-methylsulfanylpropan-2-yl)-2-(trifluoromethyl)aniline is sourced from PubChem (CID 112662366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).