N-methyl-1-[2-methyl-5-(trifluoromethyl)phenyl]sulfanylprop-1-en-1-amine

C12H14F3NS — CID 167104177

IUPACN-methyl-1-[2-methyl-5-(trifluoromethyl)phenyl]sulfanylprop-1-en-1-amine
SMILESCC=C(NC)Sc1cc(C(F)(F)F)ccc1C
InChIInChI=1S/C12H14F3NS/c1-4-11(16-3)17-10-7-9(12(13,14)15)6-5-8(10)2/h4-7,16H,1-3H3
InChIKeyMFNUFIYOUOEGEA-UHFFFAOYSA-N
MW261.31 g/mol
LogP4.19
Rot. Bonds3

About N-methyl-1-[2-methyl-5-(trifluoromethyl)phenyl]sulfanylprop-1-en-1-amine

N-methyl-1-[2-methyl-5-(trifluoromethyl)phenyl]sulfanylprop-1-en-1-amine (PubChem CID 167104177) has the molecular formula C12H14F3NS and a molecular weight of 261.31 g/mol. Its IUPAC name is N-methyl-1-[2-methyl-5-(trifluoromethyl)phenyl]sulfanylprop-1-en-1-amine.

Molecular Properties

Compound NameN-methyl-1-[2-methyl-5-(trifluoromethyl)phenyl]sulfanylprop-1-en-1-amine
PubChem CID167104177
Molecular FormulaC12H14F3NS
Molecular Weight261.31 g/mol
Exact Mass261.08
IUPAC NameN-methyl-1-[2-methyl-5-(trifluoromethyl)phenyl]sulfanylprop-1-en-1-amine
SMILESCC=C(NC)Sc1cc(C(F)(F)F)ccc1C
InChIInChI=1S/C12H14F3NS/c1-4-11(16-3)17-10-7-9(12(13,14)15)6-5-8(10)2/h4-7,16H,1-3H3
InChIKeyMFNUFIYOUOEGEA-UHFFFAOYSA-N
XLogP4.19
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.31
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-methyl-2-phenylsulfanyl-4-(trifluoromethyl)benzene
CID 66706526
(2S,6R)-2,6-dimethyl-1-[1-[2-methyl-5-(trifluoromethyl)phenyl]sulfanylethenyl]piperazine
CID 89259211
1-methyl-2-(4-methylhex-4-en-2-yl)-4-(trifluoromethyl)benzene
CID 123433309
1-[2-methyl-5-(trifluoromethyl)anilino]propan-2-ol
CID 66479358
(2S)-1-[2-methyl-5-(trifluoromethyl)anilino]propan-2-ol
CID 106932273
2,2-dimethyl-N-[2-methyl-5-(trifluoromethyl)phenyl]propanamide
CID 66475481
2-bromo-1-methyl-4-(trifluoromethyl)benzene
CID 2779376
2-methyl-4-(trifluoromethyl)phenol;hydrochloride
CID 172689490
4-tert-butyl-1-methyl-2-(trifluoromethylsulfanyl)benzene
CID 151565687
2-methyl-N-oxido-5-(trifluoromethyl)aniline
CID 176656270
N-but-3-en-2-yl-2-methyl-5-(trifluoromethyl)aniline
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2-[1-(methylamino)ethyl]-5-(trifluoromethyl)phenol
CID 130023220

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[2-methyl-5-(trifluoromethyl)phenyl]sulfanylprop-1-en-1-amine?
The IUPAC name of N-methyl-1-[2-methyl-5-(trifluoromethyl)phenyl]sulfanylprop-1-en-1-amine (CID 167104177) is N-methyl-1-[2-methyl-5-(trifluoromethyl)phenyl]sulfanylprop-1-en-1-amine.
What is the SMILES notation for N-methyl-1-[2-methyl-5-(trifluoromethyl)phenyl]sulfanylprop-1-en-1-amine?
The canonical SMILES for N-methyl-1-[2-methyl-5-(trifluoromethyl)phenyl]sulfanylprop-1-en-1-amine is CC=C(NC)Sc1cc(C(F)(F)F)ccc1C.
What is the InChIKey of N-methyl-1-[2-methyl-5-(trifluoromethyl)phenyl]sulfanylprop-1-en-1-amine?
The InChIKey is MFNUFIYOUOEGEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14F3NS/c1-4-11(16-3)17-10-7-9(12(13,14)15)6-5-8(10)2/h4-7,16H,1-3H3.
What are the key properties of N-methyl-1-[2-methyl-5-(trifluoromethyl)phenyl]sulfanylprop-1-en-1-amine?
N-methyl-1-[2-methyl-5-(trifluoromethyl)phenyl]sulfanylprop-1-en-1-amine has a molecular weight of 261.31 g/mol, XLogP of 4.19, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[2-methyl-5-(trifluoromethyl)phenyl]sulfanylprop-1-en-1-amine is sourced from PubChem (CID 167104177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).