3-(methoxymethoxy)-N-(methylsulfanylmethyl)-5-(trifluoromethyl)aniline

C11H14F3NO2S — CID 141449700

IUPAC3-(methoxymethoxy)-N-(methylsulfanylmethyl)-5-(trifluoromethyl)aniline
SMILESCOCOc1cc(NCSC)cc(C(F)(F)F)c1
InChIInChI=1S/C11H14F3NO2S/c1-16-7-17-10-4-8(11(12,13)14)3-9(5-10)15-6-18-2/h3-5,15H,6-7H2,1-2H3
InChIKeyQQFPJFXQOSXOOL-UHFFFAOYSA-N
MW281.30 g/mol
LogP3.42
Rot. Bonds6

About 3-(methoxymethoxy)-N-(methylsulfanylmethyl)-5-(trifluoromethyl)aniline

3-(methoxymethoxy)-N-(methylsulfanylmethyl)-5-(trifluoromethyl)aniline (PubChem CID 141449700) has the molecular formula C11H14F3NO2S and a molecular weight of 281.30 g/mol. Its IUPAC name is 3-(methoxymethoxy)-N-(methylsulfanylmethyl)-5-(trifluoromethyl)aniline.

Molecular Properties

Compound Name3-(methoxymethoxy)-N-(methylsulfanylmethyl)-5-(trifluoromethyl)aniline
PubChem CID141449700
Molecular FormulaC11H14F3NO2S
Molecular Weight281.30 g/mol
Exact Mass281.07
IUPAC Name3-(methoxymethoxy)-N-(methylsulfanylmethyl)-5-(trifluoromethyl)aniline
SMILESCOCOc1cc(NCSC)cc(C(F)(F)F)c1
InChIInChI=1S/C11H14F3NO2S/c1-16-7-17-10-4-8(11(12,13)14)3-9(5-10)15-6-18-2/h3-5,15H,6-7H2,1-2H3
InChIKeyQQFPJFXQOSXOOL-UHFFFAOYSA-N
XLogP3.42
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.30
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

1-(methoxymethoxy)-4-(trifluoromethyl)benzene
CID 11009076
5-[3-(methoxymethoxy)-5-(trifluoromethyl)phenyl]-1H-1,2,4-triazole
CID 66996465
3-[3-methoxy-5-(trifluoromethyl)anilino]propanoate
CID 86674700
N-methyl-3-[(2-methylpropan-2-yl)oxy]-5-(trifluoromethyl)aniline
CID 165351005
phenyl N-[3-(2-methoxyethoxy)-5-(trifluoromethyl)phenyl]carbamate
CID 66876567
N,N'-bis[3,5-bis(trifluoromethyl)phenyl]propane-1,3-diamine
CID 18328560
1-propoxy-3,5-bis(trifluoromethyl)benzene
CID 23395147
2-iodo-1-(methoxymethoxy)-3-methyl-5-(trifluoromethyl)benzene
CID 169066840
lithium 1-tert-butyl-3-(methoxymethoxy)benzene-5-ide
CID 23691457
1,3-dimethoxy-5-(methoxymethoxy)benzene
CID 11194953
1,3-ditert-butyl-5-[(3,5-ditert-butylphenoxy)methoxy]benzene
CID 21044549
2-iodo-1-(methoxymethoxy)-3,5-bis(trifluoromethyl)benzene
CID 163198277

Frequently Asked Questions

What is the IUPAC name of 3-(methoxymethoxy)-N-(methylsulfanylmethyl)-5-(trifluoromethyl)aniline?
The IUPAC name of 3-(methoxymethoxy)-N-(methylsulfanylmethyl)-5-(trifluoromethyl)aniline (CID 141449700) is 3-(methoxymethoxy)-N-(methylsulfanylmethyl)-5-(trifluoromethyl)aniline.
What is the SMILES notation for 3-(methoxymethoxy)-N-(methylsulfanylmethyl)-5-(trifluoromethyl)aniline?
The canonical SMILES for 3-(methoxymethoxy)-N-(methylsulfanylmethyl)-5-(trifluoromethyl)aniline is COCOc1cc(NCSC)cc(C(F)(F)F)c1.
What is the InChIKey of 3-(methoxymethoxy)-N-(methylsulfanylmethyl)-5-(trifluoromethyl)aniline?
The InChIKey is QQFPJFXQOSXOOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14F3NO2S/c1-16-7-17-10-4-8(11(12,13)14)3-9(5-10)15-6-18-2/h3-5,15H,6-7H2,1-2H3.
What are the key properties of 3-(methoxymethoxy)-N-(methylsulfanylmethyl)-5-(trifluoromethyl)aniline?
3-(methoxymethoxy)-N-(methylsulfanylmethyl)-5-(trifluoromethyl)aniline has a molecular weight of 281.30 g/mol, XLogP of 3.42, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(methoxymethoxy)-N-(methylsulfanylmethyl)-5-(trifluoromethyl)aniline is sourced from PubChem (CID 141449700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).