2-cyclopentylsulfanyl-1-[4-fluoro-3-(trifluoromethyl)phenyl]-N-methylethanamine

C15H19F4NS — CID 107288990

IUPAC2-cyclopentylsulfanyl-1-[4-fluoro-3-(trifluoromethyl)phenyl]-N-methylethanamine
SMILESCNC(CSC1CCCC1)c1ccc(F)c(C(F)(F)F)c1
InChIInChI=1S/C15H19F4NS/c1-20-14(9-21-11-4-2-3-5-11)10-6-7-13(16)12(8-10)15(17,18)19/h6-8,11,14,20H,2-5,9H2,1H3
InChIKeySFDNGTFYJVBADR-UHFFFAOYSA-N
MW321.38 g/mol
LogP4.78
Rot. Bonds5

About 2-cyclopentylsulfanyl-1-[4-fluoro-3-(trifluoromethyl)phenyl]-N-methylethanamine

2-cyclopentylsulfanyl-1-[4-fluoro-3-(trifluoromethyl)phenyl]-N-methylethanamine (PubChem CID 107288990) has the molecular formula C15H19F4NS and a molecular weight of 321.38 g/mol. Its IUPAC name is 2-cyclopentylsulfanyl-1-[4-fluoro-3-(trifluoromethyl)phenyl]-N-methylethanamine.

Molecular Properties

Compound Name2-cyclopentylsulfanyl-1-[4-fluoro-3-(trifluoromethyl)phenyl]-N-methylethanamine
PubChem CID107288990
Molecular FormulaC15H19F4NS
Molecular Weight321.38 g/mol
Exact Mass321.12
IUPAC Name2-cyclopentylsulfanyl-1-[4-fluoro-3-(trifluoromethyl)phenyl]-N-methylethanamine
SMILESCNC(CSC1CCCC1)c1ccc(F)c(C(F)(F)F)c1
InChIInChI=1S/C15H19F4NS/c1-20-14(9-21-11-4-2-3-5-11)10-6-7-13(16)12(8-10)15(17,18)19/h6-8,11,14,20H,2-5,9H2,1H3
InChIKeySFDNGTFYJVBADR-UHFFFAOYSA-N
XLogP4.78
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.38
LogP ≤ 54.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-cyclopentylsulfanyl-1-[3-fluoro-4-(trifluoromethyl)phenyl]-N-methylethanamine
CID 107288991
2-cyclopentylsulfanyl-1-[4-fluoro-3-(trifluoromethyl)phenyl]ethanol
CID 107288481
2-cyclopentylsulfanyl-1-(4-fluorophenyl)-N-methylethanamine
CID 65138724
1-[4-fluoro-3-(trifluoromethyl)phenyl]-N-methyl-2-propylsulfanylethanamine
CID 107288956
2-cyclohexylsulfanyl-1-(2,3-dihydro-1-benzofuran-5-yl)-N-methylethanamine
CID 104542585
1-[4-fluoro-3-(trifluoromethyl)phenyl]-N-methylbut-3-en-1-amine
CID 115814424
2-cyclohexylsulfanyl-1-(5-fluoro-3-pyridinyl)-N-methylethanamine
CID 65144532
2-cyclohexylsulfanyl-1-[3-fluoro-4-(trifluoromethyl)phenyl]ethanamine
CID 107288993
2-cyclopentylsulfanyl-1-(2,5-dichlorophenyl)-N-methylethanamine
CID 65138511
2-cyclohexylsulfanyl-N-methyl-1-quinolin-7-ylethanamine
CID 81228669
2-cyclopentylsulfanyl-N-methyl-1-pyrimidin-5-ylethanamine
CID 65138669
1-[4-bromo-3-(trifluoromethyl)phenyl]-2-cyclopentyl-N-methylethanamine
CID 115847452

Frequently Asked Questions

What is the IUPAC name of 2-cyclopentylsulfanyl-1-[4-fluoro-3-(trifluoromethyl)phenyl]-N-methylethanamine?
The IUPAC name of 2-cyclopentylsulfanyl-1-[4-fluoro-3-(trifluoromethyl)phenyl]-N-methylethanamine (CID 107288990) is 2-cyclopentylsulfanyl-1-[4-fluoro-3-(trifluoromethyl)phenyl]-N-methylethanamine.
What is the SMILES notation for 2-cyclopentylsulfanyl-1-[4-fluoro-3-(trifluoromethyl)phenyl]-N-methylethanamine?
The canonical SMILES for 2-cyclopentylsulfanyl-1-[4-fluoro-3-(trifluoromethyl)phenyl]-N-methylethanamine is CNC(CSC1CCCC1)c1ccc(F)c(C(F)(F)F)c1.
What is the InChIKey of 2-cyclopentylsulfanyl-1-[4-fluoro-3-(trifluoromethyl)phenyl]-N-methylethanamine?
The InChIKey is SFDNGTFYJVBADR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19F4NS/c1-20-14(9-21-11-4-2-3-5-11)10-6-7-13(16)12(8-10)15(17,18)19/h6-8,11,14,20H,2-5,9H2,1H3.
What are the key properties of 2-cyclopentylsulfanyl-1-[4-fluoro-3-(trifluoromethyl)phenyl]-N-methylethanamine?
2-cyclopentylsulfanyl-1-[4-fluoro-3-(trifluoromethyl)phenyl]-N-methylethanamine has a molecular weight of 321.38 g/mol, XLogP of 4.78, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopentylsulfanyl-1-[4-fluoro-3-(trifluoromethyl)phenyl]-N-methylethanamine is sourced from PubChem (CID 107288990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).