2-methyl-N-(2-methylpropyl)-3-[4-(trifluoromethylsulfanyl)phenyl]prop-2-en-1-amine

C15H20F3NS — CID 79341385

IUPAC2-methyl-N-(2-methylpropyl)-3-[4-(trifluoromethylsulfanyl)phenyl]prop-2-en-1-amine
SMILESCC(=Cc1ccc(SC(F)(F)F)cc1)CNCC(C)C
InChIInChI=1S/C15H20F3NS/c1-11(2)9-19-10-12(3)8-13-4-6-14(7-5-13)20-15(16,17)18/h4-8,11,19H,9-10H2,1-3H3
InChIKeyMXKAXAARTWSXJN-UHFFFAOYSA-N
MW303.39 g/mol
LogP4.95
Rot. Bonds6

About 2-methyl-N-(2-methylpropyl)-3-[4-(trifluoromethylsulfanyl)phenyl]prop-2-en-1-amine

2-methyl-N-(2-methylpropyl)-3-[4-(trifluoromethylsulfanyl)phenyl]prop-2-en-1-amine (PubChem CID 79341385) has the molecular formula C15H20F3NS and a molecular weight of 303.39 g/mol. Its IUPAC name is 2-methyl-N-(2-methylpropyl)-3-[4-(trifluoromethylsulfanyl)phenyl]prop-2-en-1-amine.

Molecular Properties

Compound Name2-methyl-N-(2-methylpropyl)-3-[4-(trifluoromethylsulfanyl)phenyl]prop-2-en-1-amine
PubChem CID79341385
Molecular FormulaC15H20F3NS
Molecular Weight303.39 g/mol
Exact Mass303.13
IUPAC Name2-methyl-N-(2-methylpropyl)-3-[4-(trifluoromethylsulfanyl)phenyl]prop-2-en-1-amine
SMILESCC(=Cc1ccc(SC(F)(F)F)cc1)CNCC(C)C
InChIInChI=1S/C15H20F3NS/c1-11(2)9-19-10-12(3)8-13-4-6-14(7-5-13)20-15(16,17)18/h4-8,11,19H,9-10H2,1-3H3
InChIKeyMXKAXAARTWSXJN-UHFFFAOYSA-N
XLogP4.95
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.39
LogP ≤ 54.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-methyl-N-(2-methylpropyl)-3-(4-methylsulfanylphenyl)prop-2-en-1-amine
CID 79337574
3-(4-methoxyphenyl)-2-methyl-N-(2-methylpropyl)prop-2-en-1-amine
CID 79338398
2-methyl-N-(2-methylpropyl)-3-pyridin-4-ylprop-2-en-1-amine
CID 79340967
3-(3,4-difluorophenyl)-2-methyl-N-(2-methylpropyl)prop-2-en-1-amine
CID 79337268
methyl 4-[2-methyl-3-(2-methylpropylamino)prop-1-enyl]benzoate
CID 79337977
2-methyl-N-[[4-(trifluoromethylsulfanyl)phenyl]methyl]propan-1-amine
CID 29298157
3-(4-fluoro-3-methylphenyl)-2-methyl-N-(2-methylpropyl)prop-2-en-1-amine
CID 79338174
(E)-3-methyl-4-[4-(trifluoromethylsulfanyl)phenyl]but-3-en-2-ol
CID 103091265
1-[2-(chloromethyl)-3-methylbut-1-enyl]-4-(trifluoromethylsulfanyl)benzene
CID 79334821
3-(3-bromophenyl)-2-methyl-N-(2-methylpropyl)prop-2-en-1-amine
CID 79338287
3-(6-methoxynaphthalen-2-yl)-2-methyl-N-(2-methylpropyl)prop-2-en-1-amine
CID 79344285
3-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methyl-N-(2-methylpropyl)prop-2-en-1-amine
CID 79337473

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-(2-methylpropyl)-3-[4-(trifluoromethylsulfanyl)phenyl]prop-2-en-1-amine?
The IUPAC name of 2-methyl-N-(2-methylpropyl)-3-[4-(trifluoromethylsulfanyl)phenyl]prop-2-en-1-amine (CID 79341385) is 2-methyl-N-(2-methylpropyl)-3-[4-(trifluoromethylsulfanyl)phenyl]prop-2-en-1-amine.
What is the SMILES notation for 2-methyl-N-(2-methylpropyl)-3-[4-(trifluoromethylsulfanyl)phenyl]prop-2-en-1-amine?
The canonical SMILES for 2-methyl-N-(2-methylpropyl)-3-[4-(trifluoromethylsulfanyl)phenyl]prop-2-en-1-amine is CC(=Cc1ccc(SC(F)(F)F)cc1)CNCC(C)C.
What is the InChIKey of 2-methyl-N-(2-methylpropyl)-3-[4-(trifluoromethylsulfanyl)phenyl]prop-2-en-1-amine?
The InChIKey is MXKAXAARTWSXJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20F3NS/c1-11(2)9-19-10-12(3)8-13-4-6-14(7-5-13)20-15(16,17)18/h4-8,11,19H,9-10H2,1-3H3.
What are the key properties of 2-methyl-N-(2-methylpropyl)-3-[4-(trifluoromethylsulfanyl)phenyl]prop-2-en-1-amine?
2-methyl-N-(2-methylpropyl)-3-[4-(trifluoromethylsulfanyl)phenyl]prop-2-en-1-amine has a molecular weight of 303.39 g/mol, XLogP of 4.95, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-(2-methylpropyl)-3-[4-(trifluoromethylsulfanyl)phenyl]prop-2-en-1-amine is sourced from PubChem (CID 79341385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).