N-ethyl-1-(thiolan-2-yl)-2-[4-(trifluoromethyl)phenyl]ethanamine

C15H20F3NS — CID 80622626

IUPACN-ethyl-1-(thiolan-2-yl)-2-[4-(trifluoromethyl)phenyl]ethanamine
SMILESCCNC(Cc1ccc(C(F)(F)F)cc1)C1CCCS1
InChIInChI=1S/C15H20F3NS/c1-2-19-13(14-4-3-9-20-14)10-11-5-7-12(8-6-11)15(16,17)18/h5-8,13-14,19H,2-4,9-10H2,1H3
InChIKeyYFIPZFZTXWVFCZ-UHFFFAOYSA-N
MW303.39 g/mol
LogP4.12
Rot. Bonds5

About N-ethyl-1-(thiolan-2-yl)-2-[4-(trifluoromethyl)phenyl]ethanamine

N-ethyl-1-(thiolan-2-yl)-2-[4-(trifluoromethyl)phenyl]ethanamine (PubChem CID 80622626) has the molecular formula C15H20F3NS and a molecular weight of 303.39 g/mol. Its IUPAC name is N-ethyl-1-(thiolan-2-yl)-2-[4-(trifluoromethyl)phenyl]ethanamine.

Molecular Properties

Compound NameN-ethyl-1-(thiolan-2-yl)-2-[4-(trifluoromethyl)phenyl]ethanamine
PubChem CID80622626
Molecular FormulaC15H20F3NS
Molecular Weight303.39 g/mol
Exact Mass303.13
IUPAC NameN-ethyl-1-(thiolan-2-yl)-2-[4-(trifluoromethyl)phenyl]ethanamine
SMILESCCNC(Cc1ccc(C(F)(F)F)cc1)C1CCCS1
InChIInChI=1S/C15H20F3NS/c1-2-19-13(14-4-3-9-20-14)10-11-5-7-12(8-6-11)15(16,17)18/h5-8,13-14,19H,2-4,9-10H2,1H3
InChIKeyYFIPZFZTXWVFCZ-UHFFFAOYSA-N
XLogP4.12
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.39
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[1-(thiolan-2-yl)-2-[4-(trifluoromethyl)phenyl]ethyl]hydrazine
CID 105255478
1-cyclobutyl-N-ethyl-2-[4-(trifluoromethyl)phenyl]ethanamine
CID 55040821
N-[thiolan-2-yl-[4-(trifluoromethyl)phenyl]methyl]ethanamine
CID 80626863
2-(4-tert-butylphenyl)-N-methyl-1-(thiolan-2-yl)ethanamine
CID 80622254
N-[2-(4-ethylphenyl)-1-(thiolan-2-yl)ethyl]propan-1-amine
CID 80627216
N-ethyl-2-(2-methylphenyl)-1-(thiolan-2-yl)ethanamine
CID 80622154
2-(2-chloro-4-fluorophenyl)-N-ethyl-1-(thiolan-2-yl)ethanamine
CID 80626521
N-ethyl-5,5,5-trifluoro-1-(thiolan-2-yl)pentan-1-amine
CID 115517497
2-(2,5-dichlorophenyl)-N-ethyl-1-(thiolan-2-yl)ethanamine
CID 80622619
N-ethyl-1,1-difluoro-3-[4-(trifluoromethyl)phenyl]propan-2-amine
CID 103516579
N-ethyl-2-(2-methylphenyl)-1-(thian-2-yl)ethanamine
CID 80627155
N-[thian-2-yl-[4-(trifluoromethyl)phenyl]methyl]propan-1-amine
CID 80626465

Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-(thiolan-2-yl)-2-[4-(trifluoromethyl)phenyl]ethanamine?
The IUPAC name of N-ethyl-1-(thiolan-2-yl)-2-[4-(trifluoromethyl)phenyl]ethanamine (CID 80622626) is N-ethyl-1-(thiolan-2-yl)-2-[4-(trifluoromethyl)phenyl]ethanamine.
What is the SMILES notation for N-ethyl-1-(thiolan-2-yl)-2-[4-(trifluoromethyl)phenyl]ethanamine?
The canonical SMILES for N-ethyl-1-(thiolan-2-yl)-2-[4-(trifluoromethyl)phenyl]ethanamine is CCNC(Cc1ccc(C(F)(F)F)cc1)C1CCCS1.
What is the InChIKey of N-ethyl-1-(thiolan-2-yl)-2-[4-(trifluoromethyl)phenyl]ethanamine?
The InChIKey is YFIPZFZTXWVFCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20F3NS/c1-2-19-13(14-4-3-9-20-14)10-11-5-7-12(8-6-11)15(16,17)18/h5-8,13-14,19H,2-4,9-10H2,1H3.
What are the key properties of N-ethyl-1-(thiolan-2-yl)-2-[4-(trifluoromethyl)phenyl]ethanamine?
N-ethyl-1-(thiolan-2-yl)-2-[4-(trifluoromethyl)phenyl]ethanamine has a molecular weight of 303.39 g/mol, XLogP of 4.12, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-(thiolan-2-yl)-2-[4-(trifluoromethyl)phenyl]ethanamine is sourced from PubChem (CID 80622626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).