(4-ethylsulfanylphenyl)-[4-(trifluoromethyl)-3-pyridinyl]methanamine

C15H15F3N2S — CID 106848731

IUPAC(4-ethylsulfanylphenyl)-[4-(trifluoromethyl)-3-pyridinyl]methanamine
SMILESCCSc1ccc(C(N)c2cnccc2C(F)(F)F)cc1
InChIInChI=1S/C15H15F3N2S/c1-2-21-11-5-3-10(4-6-11)14(19)12-9-20-8-7-13(12)15(16,17)18/h3-9,14H,2,19H2,1H3
InChIKeyCUAXWRLVWUERSX-UHFFFAOYSA-N
MW312.36 g/mol
LogP4.26
Rot. Bonds4

About (4-ethylsulfanylphenyl)-[4-(trifluoromethyl)-3-pyridinyl]methanamine

(4-ethylsulfanylphenyl)-[4-(trifluoromethyl)-3-pyridinyl]methanamine (PubChem CID 106848731) has the molecular formula C15H15F3N2S and a molecular weight of 312.36 g/mol. Its IUPAC name is (4-ethylsulfanylphenyl)-[4-(trifluoromethyl)-3-pyridinyl]methanamine.

Molecular Properties

Compound Name(4-ethylsulfanylphenyl)-[4-(trifluoromethyl)-3-pyridinyl]methanamine
PubChem CID106848731
Molecular FormulaC15H15F3N2S
Molecular Weight312.36 g/mol
Exact Mass312.09
IUPAC Name(4-ethylsulfanylphenyl)-[4-(trifluoromethyl)-3-pyridinyl]methanamine
SMILESCCSc1ccc(C(N)c2cnccc2C(F)(F)F)cc1
InChIInChI=1S/C15H15F3N2S/c1-2-21-11-5-3-10(4-6-11)14(19)12-9-20-8-7-13(12)15(16,17)18/h3-9,14H,2,19H2,1H3
InChIKeyCUAXWRLVWUERSX-UHFFFAOYSA-N
XLogP4.26
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.36
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(4-chlorophenyl)-[4-(trifluoromethyl)-3-pyridinyl]methanamine
CID 102707952
(3,4-dichlorophenyl)-[4-(trifluoromethyl)-3-pyridinyl]methanamine
CID 102708429
(4-fluoro-3-methylphenyl)-[4-(trifluoromethyl)-3-pyridinyl]methanamine
CID 102708046
(4-ethylsulfanylphenyl)-isoquinolin-8-ylmethanamine
CID 106848509
(2-ethoxyphenyl)-[4-(trifluoromethyl)-3-pyridinyl]methanamine
CID 102708459
3-[amino-[4-(trifluoromethyl)-3-pyridinyl]methyl]-N,N-dimethylaniline
CID 102709954
2-(4-fluorophenyl)sulfanyl-1-[4-(trifluoromethyl)-3-pyridinyl]ethanol
CID 102707834
(4-propylthiadiazol-5-yl)-[4-(trifluoromethyl)-3-pyridinyl]methanamine
CID 102709870
(5-bromothiophen-2-yl)-[4-(trifluoromethyl)-3-pyridinyl]methanamine
CID 102708183
2-ethyl-2-N,2-N-dimethyl-1-[4-(trifluoromethyl)-3-pyridinyl]butane-1,2-diamine
CID 102708312
(2,5-dimethylphenyl)-[4-(trifluoromethyl)-3-pyridinyl]methanamine
CID 102710062
(2-chlorophenyl)-[4-(trifluoromethyl)-3-pyridinyl]methanamine
CID 102708099

Frequently Asked Questions

What is the IUPAC name of (4-ethylsulfanylphenyl)-[4-(trifluoromethyl)-3-pyridinyl]methanamine?
The IUPAC name of (4-ethylsulfanylphenyl)-[4-(trifluoromethyl)-3-pyridinyl]methanamine (CID 106848731) is (4-ethylsulfanylphenyl)-[4-(trifluoromethyl)-3-pyridinyl]methanamine.
What is the SMILES notation for (4-ethylsulfanylphenyl)-[4-(trifluoromethyl)-3-pyridinyl]methanamine?
The canonical SMILES for (4-ethylsulfanylphenyl)-[4-(trifluoromethyl)-3-pyridinyl]methanamine is CCSc1ccc(C(N)c2cnccc2C(F)(F)F)cc1.
What is the InChIKey of (4-ethylsulfanylphenyl)-[4-(trifluoromethyl)-3-pyridinyl]methanamine?
The InChIKey is CUAXWRLVWUERSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15F3N2S/c1-2-21-11-5-3-10(4-6-11)14(19)12-9-20-8-7-13(12)15(16,17)18/h3-9,14H,2,19H2,1H3.
What are the key properties of (4-ethylsulfanylphenyl)-[4-(trifluoromethyl)-3-pyridinyl]methanamine?
(4-ethylsulfanylphenyl)-[4-(trifluoromethyl)-3-pyridinyl]methanamine has a molecular weight of 312.36 g/mol, XLogP of 4.26, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-ethylsulfanylphenyl)-[4-(trifluoromethyl)-3-pyridinyl]methanamine is sourced from PubChem (CID 106848731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).