5-[4-fluoro-3-methylsulfanyl-5-(trifluoromethyl)phenyl]pentan-2-amine

C13H17F4NS — CID 123889780

IUPAC5-[4-fluoro-3-methylsulfanyl-5-(trifluoromethyl)phenyl]pentan-2-amine
SMILESCSc1cc(CCCC(C)N)cc(C(F)(F)F)c1F
InChIInChI=1S/C13H17F4NS/c1-8(18)4-3-5-9-6-10(13(15,16)17)12(14)11(7-9)19-2/h6-8H,3-5,18H2,1-2H3
InChIKeyOIMGEOXALZWRJZ-UHFFFAOYSA-N
MW295.35 g/mol
LogP4.24
Rot. Bonds5

About 5-[4-fluoro-3-methylsulfanyl-5-(trifluoromethyl)phenyl]pentan-2-amine

5-[4-fluoro-3-methylsulfanyl-5-(trifluoromethyl)phenyl]pentan-2-amine (PubChem CID 123889780) has the molecular formula C13H17F4NS and a molecular weight of 295.35 g/mol. Its IUPAC name is 5-[4-fluoro-3-methylsulfanyl-5-(trifluoromethyl)phenyl]pentan-2-amine.

Molecular Properties

Compound Name5-[4-fluoro-3-methylsulfanyl-5-(trifluoromethyl)phenyl]pentan-2-amine
PubChem CID123889780
Molecular FormulaC13H17F4NS
Molecular Weight295.35 g/mol
Exact Mass295.10
IUPAC Name5-[4-fluoro-3-methylsulfanyl-5-(trifluoromethyl)phenyl]pentan-2-amine
SMILESCSc1cc(CCCC(C)N)cc(C(F)(F)F)c1F
InChIInChI=1S/C13H17F4NS/c1-8(18)4-3-5-9-6-10(13(15,16)17)12(14)11(7-9)19-2/h6-8H,3-5,18H2,1-2H3
InChIKeyOIMGEOXALZWRJZ-UHFFFAOYSA-N
XLogP4.24
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.35
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-[3-methylsulfanyl-5-(trifluoromethyl)phenyl]pentan-2-amine
CID 123512509
5-[3-methyl-5-(trifluoromethylsulfanyl)phenyl]pentan-2-amine
CID 123581851
(2R)-5-[3-tert-butyl-5-(chloromethyl)phenyl]pentan-2-amine
CID 90210403
(2S)-5-[3-(difluoromethoxy)-5-ethyl-4-fluorophenyl]pentan-2-amine
CID 90212606
(2S)-5-(7-tert-butyl-2,3-dihydro-1H-inden-5-yl)pentan-2-amine
CID 90210492
4-[3-methyl-5-methylsulfanyl-4-(trifluoromethyl)phenyl]butan-1-amine
CID 90212889
(2S)-5-[3-tert-butyl-5-(2-methylpropyl)phenyl]pentan-2-amine
CID 90210507
(2S)-4-[3-tert-butyl-5-(trifluoromethyl)phenyl]butan-2-amine
CID 90210058
4-(3-aminobutyl)-2-methylsulfanylaniline
CID 116998491
(2R)-5-(3-chloro-4-fluoro-5-propan-2-ylphenyl)-1,1,1-trifluoropentan-2-amine
CID 139310728
1-[4-fluoro-3-(trifluoromethyl)phenyl]pentan-3-amine
CID 107290165
(2S)-4-[4-heptoxy-3-(trifluoromethyl)phenyl]butan-2-amine
CID 154553827

Frequently Asked Questions

What is the IUPAC name of 5-[4-fluoro-3-methylsulfanyl-5-(trifluoromethyl)phenyl]pentan-2-amine?
The IUPAC name of 5-[4-fluoro-3-methylsulfanyl-5-(trifluoromethyl)phenyl]pentan-2-amine (CID 123889780) is 5-[4-fluoro-3-methylsulfanyl-5-(trifluoromethyl)phenyl]pentan-2-amine.
What is the SMILES notation for 5-[4-fluoro-3-methylsulfanyl-5-(trifluoromethyl)phenyl]pentan-2-amine?
The canonical SMILES for 5-[4-fluoro-3-methylsulfanyl-5-(trifluoromethyl)phenyl]pentan-2-amine is CSc1cc(CCCC(C)N)cc(C(F)(F)F)c1F.
What is the InChIKey of 5-[4-fluoro-3-methylsulfanyl-5-(trifluoromethyl)phenyl]pentan-2-amine?
The InChIKey is OIMGEOXALZWRJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17F4NS/c1-8(18)4-3-5-9-6-10(13(15,16)17)12(14)11(7-9)19-2/h6-8H,3-5,18H2,1-2H3.
What are the key properties of 5-[4-fluoro-3-methylsulfanyl-5-(trifluoromethyl)phenyl]pentan-2-amine?
5-[4-fluoro-3-methylsulfanyl-5-(trifluoromethyl)phenyl]pentan-2-amine has a molecular weight of 295.35 g/mol, XLogP of 4.24, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-fluoro-3-methylsulfanyl-5-(trifluoromethyl)phenyl]pentan-2-amine is sourced from PubChem (CID 123889780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).