2-(4-chlorophenyl)sulfanyl-1-[4-(trifluoromethyl)phenyl]ethanamine

C15H13ClF3NS — CID 66144558

IUPAC2-(4-chlorophenyl)sulfanyl-1-[4-(trifluoromethyl)phenyl]ethanamine
SMILESNC(CSc1ccc(Cl)cc1)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C15H13ClF3NS/c16-12-5-7-13(8-6-12)21-9-14(20)10-1-3-11(4-2-10)15(17,18)19/h1-8,14H,9,20H2
InChIKeyOPFPJYBLACRFOB-UHFFFAOYSA-N
MW331.79 g/mol
LogP5.15
Rot. Bonds4

About 2-(4-chlorophenyl)sulfanyl-1-[4-(trifluoromethyl)phenyl]ethanamine

2-(4-chlorophenyl)sulfanyl-1-[4-(trifluoromethyl)phenyl]ethanamine (PubChem CID 66144558) has the molecular formula C15H13ClF3NS and a molecular weight of 331.79 g/mol. Its IUPAC name is 2-(4-chlorophenyl)sulfanyl-1-[4-(trifluoromethyl)phenyl]ethanamine.

Molecular Properties

Compound Name2-(4-chlorophenyl)sulfanyl-1-[4-(trifluoromethyl)phenyl]ethanamine
PubChem CID66144558
Molecular FormulaC15H13ClF3NS
Molecular Weight331.79 g/mol
Exact Mass331.04
IUPAC Name2-(4-chlorophenyl)sulfanyl-1-[4-(trifluoromethyl)phenyl]ethanamine
SMILESNC(CSc1ccc(Cl)cc1)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C15H13ClF3NS/c16-12-5-7-13(8-6-12)21-9-14(20)10-1-3-11(4-2-10)15(17,18)19/h1-8,14H,9,20H2
InChIKeyOPFPJYBLACRFOB-UHFFFAOYSA-N
XLogP5.15
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500331.79
LogP ≤ 55.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(1S)-2-methylsulfanyl-1-[4-(trifluoromethyl)phenyl]ethanamine
CID 94603340
(1R)-2-methylsulfanyl-1-[4-(trifluoromethyl)phenyl]ethanamine
CID 94603339
2-tert-butylsulfanyl-1-[4-(trifluoromethyl)phenyl]ethanamine
CID 65132708
2-(3-chloro-4-fluorophenyl)-1-[4-(trifluoromethyl)phenyl]ethanamine
CID 103043034
(1R)-2-fluoro-1-[4-(trifluoromethyl)phenyl]ethanamine
CID 130899133
chloromethane;1-chloro-4-(trifluoromethyl)benzene
CID 162019017
(1S)-1-[4-(trifluoromethyl)phenyl]butane-1,4-diamine
CID 171218575
2-(4-methylphenyl)sulfanyl-1-[3-(trifluoromethyl)phenyl]ethanamine
CID 64619482
1-(4-chlorophenyl)-2-(3-methylphenyl)sulfanylethanamine
CID 66086016
1-(4-chlorophenyl)-2-fluoroethanamine
CID 83816513
2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-1-[4-(trifluoromethyl)phenyl]ethanamine
CID 107524855
2-(1-methylimidazol-2-yl)sulfanyl-1-[4-(trifluoromethyl)phenyl]ethanamine
CID 107524443

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)sulfanyl-1-[4-(trifluoromethyl)phenyl]ethanamine?
The IUPAC name of 2-(4-chlorophenyl)sulfanyl-1-[4-(trifluoromethyl)phenyl]ethanamine (CID 66144558) is 2-(4-chlorophenyl)sulfanyl-1-[4-(trifluoromethyl)phenyl]ethanamine.
What is the SMILES notation for 2-(4-chlorophenyl)sulfanyl-1-[4-(trifluoromethyl)phenyl]ethanamine?
The canonical SMILES for 2-(4-chlorophenyl)sulfanyl-1-[4-(trifluoromethyl)phenyl]ethanamine is NC(CSc1ccc(Cl)cc1)c1ccc(C(F)(F)F)cc1.
What is the InChIKey of 2-(4-chlorophenyl)sulfanyl-1-[4-(trifluoromethyl)phenyl]ethanamine?
The InChIKey is OPFPJYBLACRFOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClF3NS/c16-12-5-7-13(8-6-12)21-9-14(20)10-1-3-11(4-2-10)15(17,18)19/h1-8,14H,9,20H2.
What are the key properties of 2-(4-chlorophenyl)sulfanyl-1-[4-(trifluoromethyl)phenyl]ethanamine?
2-(4-chlorophenyl)sulfanyl-1-[4-(trifluoromethyl)phenyl]ethanamine has a molecular weight of 331.79 g/mol, XLogP of 5.15, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)sulfanyl-1-[4-(trifluoromethyl)phenyl]ethanamine is sourced from PubChem (CID 66144558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).