2-[(3-chloro-2-pyridinyl)sulfanyl]-1-[3-(trifluoromethyl)phenyl]ethanamine

C14H12ClF3N2S — CID 64631082

IUPAC2-[(3-chloro-2-pyridinyl)sulfanyl]-1-[3-(trifluoromethyl)phenyl]ethanamine
SMILESNC(CSc1ncccc1Cl)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C14H12ClF3N2S/c15-11-5-2-6-20-13(11)21-8-12(19)9-3-1-4-10(7-9)14(16,17)18/h1-7,12H,8,19H2
InChIKeyGYJFLTFZAQNPRW-UHFFFAOYSA-N
MW332.78 g/mol
LogP4.55
Rot. Bonds4

About 2-[(3-chloro-2-pyridinyl)sulfanyl]-1-[3-(trifluoromethyl)phenyl]ethanamine

2-[(3-chloro-2-pyridinyl)sulfanyl]-1-[3-(trifluoromethyl)phenyl]ethanamine (PubChem CID 64631082) has the molecular formula C14H12ClF3N2S and a molecular weight of 332.78 g/mol. Its IUPAC name is 2-[(3-chloro-2-pyridinyl)sulfanyl]-1-[3-(trifluoromethyl)phenyl]ethanamine.

Molecular Properties

Compound Name2-[(3-chloro-2-pyridinyl)sulfanyl]-1-[3-(trifluoromethyl)phenyl]ethanamine
PubChem CID64631082
Molecular FormulaC14H12ClF3N2S
Molecular Weight332.78 g/mol
Exact Mass332.04
IUPAC Name2-[(3-chloro-2-pyridinyl)sulfanyl]-1-[3-(trifluoromethyl)phenyl]ethanamine
SMILESNC(CSc1ncccc1Cl)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C14H12ClF3N2S/c15-11-5-2-6-20-13(11)21-8-12(19)9-3-1-4-10(7-9)14(16,17)18/h1-7,12H,8,19H2
InChIKeyGYJFLTFZAQNPRW-UHFFFAOYSA-N
XLogP4.55
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.78
LogP ≤ 54.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(3-chloro-2-pyridinyl)sulfanyl]-1-(3,4-difluorophenyl)ethanamine
CID 107525261
2-(4-methylphenyl)sulfanyl-1-[3-(trifluoromethyl)phenyl]ethanamine
CID 64619482
2-propan-2-ylsulfanyl-1-[3-(trifluoromethyl)phenyl]ethanamine
CID 64634045
2-[(3-bromo-2-pyridinyl)sulfanyl]-1-(3-fluorophenyl)ethanamine
CID 107525232
2-[(3-chloro-2-pyridinyl)sulfanyl]-1-(4-propylphenyl)ethanamine
CID 64631081
N-[(3-chloro-2-pyridinyl)-[3-(trifluoromethyl)phenyl]methyl]ethanamine
CID 103444525
2-(1-methyltetrazol-5-yl)sulfanyl-1-[3-(trifluoromethyl)phenyl]ethanamine
CID 64620794
3-[(3-chloro-2-pyridinyl)sulfanyl]-2-phenylpropan-1-amine
CID 64537037
(3-bromo-4-chlorophenyl)-[3-(trifluoromethyl)phenyl]methanamine
CID 115566981
2-pyridin-3-yl-1-[3-(trifluoromethyl)phenyl]ethanamine
CID 62791242
(R)-pyridin-3-yl-[3-(trifluoromethyl)phenyl]methanamine
CID 28502674
ethyl 2-[2-amino-2-[3-(trifluoromethyl)phenyl]ethyl]sulfanylacetate
CID 64612931

Frequently Asked Questions

What is the IUPAC name of 2-[(3-chloro-2-pyridinyl)sulfanyl]-1-[3-(trifluoromethyl)phenyl]ethanamine?
The IUPAC name of 2-[(3-chloro-2-pyridinyl)sulfanyl]-1-[3-(trifluoromethyl)phenyl]ethanamine (CID 64631082) is 2-[(3-chloro-2-pyridinyl)sulfanyl]-1-[3-(trifluoromethyl)phenyl]ethanamine.
What is the SMILES notation for 2-[(3-chloro-2-pyridinyl)sulfanyl]-1-[3-(trifluoromethyl)phenyl]ethanamine?
The canonical SMILES for 2-[(3-chloro-2-pyridinyl)sulfanyl]-1-[3-(trifluoromethyl)phenyl]ethanamine is NC(CSc1ncccc1Cl)c1cccc(C(F)(F)F)c1.
What is the InChIKey of 2-[(3-chloro-2-pyridinyl)sulfanyl]-1-[3-(trifluoromethyl)phenyl]ethanamine?
The InChIKey is GYJFLTFZAQNPRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12ClF3N2S/c15-11-5-2-6-20-13(11)21-8-12(19)9-3-1-4-10(7-9)14(16,17)18/h1-7,12H,8,19H2.
What are the key properties of 2-[(3-chloro-2-pyridinyl)sulfanyl]-1-[3-(trifluoromethyl)phenyl]ethanamine?
2-[(3-chloro-2-pyridinyl)sulfanyl]-1-[3-(trifluoromethyl)phenyl]ethanamine has a molecular weight of 332.78 g/mol, XLogP of 4.55, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-chloro-2-pyridinyl)sulfanyl]-1-[3-(trifluoromethyl)phenyl]ethanamine is sourced from PubChem (CID 64631082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).