N-methyl-1-[2-[4-(trifluoromethyl)phenyl]sulfanylphenyl]methanamine

C15H14F3NS — CID 44568750

IUPACN-methyl-1-[2-[4-(trifluoromethyl)phenyl]sulfanylphenyl]methanamine
SMILESCNCc1ccccc1Sc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C15H14F3NS/c1-19-10-11-4-2-3-5-14(11)20-13-8-6-12(7-9-13)15(16,17)18/h2-9,19H,10H2,1H3
InChIKeyGJORZJNPTHLFPB-UHFFFAOYSA-N
MW297.35 g/mol
LogP4.58
Rot. Bonds4

About N-methyl-1-[2-[4-(trifluoromethyl)phenyl]sulfanylphenyl]methanamine

N-methyl-1-[2-[4-(trifluoromethyl)phenyl]sulfanylphenyl]methanamine (PubChem CID 44568750) has the molecular formula C15H14F3NS and a molecular weight of 297.35 g/mol. Its IUPAC name is N-methyl-1-[2-[4-(trifluoromethyl)phenyl]sulfanylphenyl]methanamine.

Molecular Properties

Compound NameN-methyl-1-[2-[4-(trifluoromethyl)phenyl]sulfanylphenyl]methanamine
PubChem CID44568750
Molecular FormulaC15H14F3NS
Molecular Weight297.35 g/mol
Exact Mass297.08
IUPAC NameN-methyl-1-[2-[4-(trifluoromethyl)phenyl]sulfanylphenyl]methanamine
SMILESCNCc1ccccc1Sc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C15H14F3NS/c1-19-10-11-4-2-3-5-14(11)20-13-8-6-12(7-9-13)15(16,17)18/h2-9,19H,10H2,1H3
InChIKeyGJORZJNPTHLFPB-UHFFFAOYSA-N
XLogP4.58
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.35
LogP ≤ 54.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[2-[4-(trifluoromethyl)phenyl]sulfanylphenyl]methanamine?
The IUPAC name of N-methyl-1-[2-[4-(trifluoromethyl)phenyl]sulfanylphenyl]methanamine (CID 44568750) is N-methyl-1-[2-[4-(trifluoromethyl)phenyl]sulfanylphenyl]methanamine.
What is the SMILES notation for N-methyl-1-[2-[4-(trifluoromethyl)phenyl]sulfanylphenyl]methanamine?
The canonical SMILES for N-methyl-1-[2-[4-(trifluoromethyl)phenyl]sulfanylphenyl]methanamine is CNCc1ccccc1Sc1ccc(C(F)(F)F)cc1.
What is the InChIKey of N-methyl-1-[2-[4-(trifluoromethyl)phenyl]sulfanylphenyl]methanamine?
The InChIKey is GJORZJNPTHLFPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14F3NS/c1-19-10-11-4-2-3-5-14(11)20-13-8-6-12(7-9-13)15(16,17)18/h2-9,19H,10H2,1H3.
What are the key properties of N-methyl-1-[2-[4-(trifluoromethyl)phenyl]sulfanylphenyl]methanamine?
N-methyl-1-[2-[4-(trifluoromethyl)phenyl]sulfanylphenyl]methanamine has a molecular weight of 297.35 g/mol, XLogP of 4.58, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[2-[4-(trifluoromethyl)phenyl]sulfanylphenyl]methanamine is sourced from PubChem (CID 44568750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).