(4-methylsulfanylphenyl)-[4-(trifluoromethyl)phenyl]methanamine

C15H14F3NS — CID 115852240

IUPAC(4-methylsulfanylphenyl)-[4-(trifluoromethyl)phenyl]methanamine
SMILESCSc1ccc(C(N)c2ccc(C(F)(F)F)cc2)cc1
InChIInChI=1S/C15H14F3NS/c1-20-13-8-4-11(5-9-13)14(19)10-2-6-12(7-3-10)15(16,17)18/h2-9,14H,19H2,1H3
InChIKeyIRXFBPHINWDXOF-UHFFFAOYSA-N
MW297.35 g/mol
LogP4.48
Rot. Bonds3

About (4-methylsulfanylphenyl)-[4-(trifluoromethyl)phenyl]methanamine

(4-methylsulfanylphenyl)-[4-(trifluoromethyl)phenyl]methanamine (PubChem CID 115852240) has the molecular formula C15H14F3NS and a molecular weight of 297.35 g/mol. Its IUPAC name is (4-methylsulfanylphenyl)-[4-(trifluoromethyl)phenyl]methanamine.

Molecular Properties

Compound Name(4-methylsulfanylphenyl)-[4-(trifluoromethyl)phenyl]methanamine
PubChem CID115852240
Molecular FormulaC15H14F3NS
Molecular Weight297.35 g/mol
Exact Mass297.08
IUPAC Name(4-methylsulfanylphenyl)-[4-(trifluoromethyl)phenyl]methanamine
SMILESCSc1ccc(C(N)c2ccc(C(F)(F)F)cc2)cc1
InChIInChI=1S/C15H14F3NS/c1-20-13-8-4-11(5-9-13)14(19)10-2-6-12(7-3-10)15(16,17)18/h2-9,14H,19H2,1H3
InChIKeyIRXFBPHINWDXOF-UHFFFAOYSA-N
XLogP4.48
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.35
LogP ≤ 54.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(4-bromophenyl)-(4-methylsulfanylphenyl)methanamine
CID 79214742
(1S)-2-methylsulfanyl-1-[4-(trifluoromethyl)phenyl]ethanamine
CID 94603340
(1R)-2-methylsulfanyl-1-[4-(trifluoromethyl)phenyl]ethanamine
CID 94603339
(4-fluoro-3-methylphenyl)-(4-methylsulfanylphenyl)methanamine
CID 79747463
3,3,3-trifluoro-1-(4-methylsulfanylphenyl)propan-1-amine
CID 112693648
(S)-[3-(trifluoromethyl)phenyl]-[4-(trifluoromethyl)phenyl]methanamine
CID 170898673
(1S)-2,2,3,3,3-pentafluoro-1-(4-methylsulfanylphenyl)propan-1-amine;hydrochloride
CID 171311910
(4-fluoro-2,6-dimethylphenyl)-[4-(trifluoromethyl)phenyl]methanamine
CID 106877167
(4-methylsulfanylphenyl)-(2,4,5-trifluorophenyl)methanamine
CID 103302099
N-[(4-methylsulfanylphenyl)methyl]-1-[4-(trifluoromethyl)phenyl]methanamine
CID 60699641
(1S)-2-methyl-1-[4-(trifluoromethyl)phenyl]propan-1-amine
CID 71134587
3-methylsulfanyl-1-[4-(trifluoromethyl)phenyl]propan-1-amine
CID 105142670

Frequently Asked Questions

What is the IUPAC name of (4-methylsulfanylphenyl)-[4-(trifluoromethyl)phenyl]methanamine?
The IUPAC name of (4-methylsulfanylphenyl)-[4-(trifluoromethyl)phenyl]methanamine (CID 115852240) is (4-methylsulfanylphenyl)-[4-(trifluoromethyl)phenyl]methanamine.
What is the SMILES notation for (4-methylsulfanylphenyl)-[4-(trifluoromethyl)phenyl]methanamine?
The canonical SMILES for (4-methylsulfanylphenyl)-[4-(trifluoromethyl)phenyl]methanamine is CSc1ccc(C(N)c2ccc(C(F)(F)F)cc2)cc1.
What is the InChIKey of (4-methylsulfanylphenyl)-[4-(trifluoromethyl)phenyl]methanamine?
The InChIKey is IRXFBPHINWDXOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14F3NS/c1-20-13-8-4-11(5-9-13)14(19)10-2-6-12(7-3-10)15(16,17)18/h2-9,14H,19H2,1H3.
What are the key properties of (4-methylsulfanylphenyl)-[4-(trifluoromethyl)phenyl]methanamine?
(4-methylsulfanylphenyl)-[4-(trifluoromethyl)phenyl]methanamine has a molecular weight of 297.35 g/mol, XLogP of 4.48, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methylsulfanylphenyl)-[4-(trifluoromethyl)phenyl]methanamine is sourced from PubChem (CID 115852240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).