2-(2-methylpyrrolidin-1-yl)-2-[4-(trifluoromethylsulfanyl)phenyl]ethanamine

C14H19F3N2S — CID 60974135

IUPAC2-(2-methylpyrrolidin-1-yl)-2-[4-(trifluoromethylsulfanyl)phenyl]ethanamine
SMILESCC1CCCN1C(CN)c1ccc(SC(F)(F)F)cc1
InChIInChI=1S/C14H19F3N2S/c1-10-3-2-8-19(10)13(9-18)11-4-6-12(7-5-11)20-14(15,16)17/h4-7,10,13H,2-3,8-9,18H2,1H3
InChIKeyHIMUTIWFFHZVJH-UHFFFAOYSA-N
MW304.38 g/mol
LogP3.78
Rot. Bonds4

About 2-(2-methylpyrrolidin-1-yl)-2-[4-(trifluoromethylsulfanyl)phenyl]ethanamine

2-(2-methylpyrrolidin-1-yl)-2-[4-(trifluoromethylsulfanyl)phenyl]ethanamine (PubChem CID 60974135) has the molecular formula C14H19F3N2S and a molecular weight of 304.38 g/mol. Its IUPAC name is 2-(2-methylpyrrolidin-1-yl)-2-[4-(trifluoromethylsulfanyl)phenyl]ethanamine.

Molecular Properties

Compound Name2-(2-methylpyrrolidin-1-yl)-2-[4-(trifluoromethylsulfanyl)phenyl]ethanamine
PubChem CID60974135
Molecular FormulaC14H19F3N2S
Molecular Weight304.38 g/mol
Exact Mass304.12
IUPAC Name2-(2-methylpyrrolidin-1-yl)-2-[4-(trifluoromethylsulfanyl)phenyl]ethanamine
SMILESCC1CCCN1C(CN)c1ccc(SC(F)(F)F)cc1
InChIInChI=1S/C14H19F3N2S/c1-10-3-2-8-19(10)13(9-18)11-4-6-12(7-5-11)20-14(15,16)17/h4-7,10,13H,2-3,8-9,18H2,1H3
InChIKeyHIMUTIWFFHZVJH-UHFFFAOYSA-N
XLogP3.78
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.38
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(2-methylpyrrolidin-1-yl)-2-[4-(trifluoromethylsulfanyl)phenyl]ethanamine?
The IUPAC name of 2-(2-methylpyrrolidin-1-yl)-2-[4-(trifluoromethylsulfanyl)phenyl]ethanamine (CID 60974135) is 2-(2-methylpyrrolidin-1-yl)-2-[4-(trifluoromethylsulfanyl)phenyl]ethanamine.
What is the SMILES notation for 2-(2-methylpyrrolidin-1-yl)-2-[4-(trifluoromethylsulfanyl)phenyl]ethanamine?
The canonical SMILES for 2-(2-methylpyrrolidin-1-yl)-2-[4-(trifluoromethylsulfanyl)phenyl]ethanamine is CC1CCCN1C(CN)c1ccc(SC(F)(F)F)cc1.
What is the InChIKey of 2-(2-methylpyrrolidin-1-yl)-2-[4-(trifluoromethylsulfanyl)phenyl]ethanamine?
The InChIKey is HIMUTIWFFHZVJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19F3N2S/c1-10-3-2-8-19(10)13(9-18)11-4-6-12(7-5-11)20-14(15,16)17/h4-7,10,13H,2-3,8-9,18H2,1H3.
What are the key properties of 2-(2-methylpyrrolidin-1-yl)-2-[4-(trifluoromethylsulfanyl)phenyl]ethanamine?
2-(2-methylpyrrolidin-1-yl)-2-[4-(trifluoromethylsulfanyl)phenyl]ethanamine has a molecular weight of 304.38 g/mol, XLogP of 3.78, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylpyrrolidin-1-yl)-2-[4-(trifluoromethylsulfanyl)phenyl]ethanamine is sourced from PubChem (CID 60974135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).