N-[[2-(trifluoromethyl)phenyl]methyl]-10H-phenothiazin-2-amine

C20H15F3N2S — CID 22664290

IUPACN-[[2-(trifluoromethyl)phenyl]methyl]-10H-phenothiazin-2-amine
SMILESFC(F)(F)c1ccccc1CNc1ccc2c(c1)Nc1ccccc1S2
InChIInChI=1S/C20H15F3N2S/c21-20(22,23)15-6-2-1-5-13(15)12-24-14-9-10-19-17(11-14)25-16-7-3-4-8-18(16)26-19/h1-11,24-25H,12H2
InChIKeyMTHDIALHQICYJF-UHFFFAOYSA-N
MW372.42 g/mol
LogP6.53
Rot. Bonds3

About N-[[2-(trifluoromethyl)phenyl]methyl]-10H-phenothiazin-2-amine

N-[[2-(trifluoromethyl)phenyl]methyl]-10H-phenothiazin-2-amine (PubChem CID 22664290) has the molecular formula C20H15F3N2S and a molecular weight of 372.42 g/mol. Its IUPAC name is N-[[2-(trifluoromethyl)phenyl]methyl]-10H-phenothiazin-2-amine.

Molecular Properties

Compound NameN-[[2-(trifluoromethyl)phenyl]methyl]-10H-phenothiazin-2-amine
PubChem CID22664290
Molecular FormulaC20H15F3N2S
Molecular Weight372.42 g/mol
Exact Mass372.09
IUPAC NameN-[[2-(trifluoromethyl)phenyl]methyl]-10H-phenothiazin-2-amine
SMILESFC(F)(F)c1ccccc1CNc1ccc2c(c1)Nc1ccccc1S2
InChIInChI=1S/C20H15F3N2S/c21-20(22,23)15-6-2-1-5-13(15)12-24-14-9-10-19-17(11-14)25-16-7-3-4-8-18(16)26-19/h1-11,24-25H,12H2
InChIKeyMTHDIALHQICYJF-UHFFFAOYSA-N
XLogP6.53
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500372.42
LogP ≤ 56.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[[2-(trifluoromethyl)phenyl]methyl]-10H-phenothiazin-2-amine?
The IUPAC name of N-[[2-(trifluoromethyl)phenyl]methyl]-10H-phenothiazin-2-amine (CID 22664290) is N-[[2-(trifluoromethyl)phenyl]methyl]-10H-phenothiazin-2-amine.
What is the SMILES notation for N-[[2-(trifluoromethyl)phenyl]methyl]-10H-phenothiazin-2-amine?
The canonical SMILES for N-[[2-(trifluoromethyl)phenyl]methyl]-10H-phenothiazin-2-amine is FC(F)(F)c1ccccc1CNc1ccc2c(c1)Nc1ccccc1S2.
What is the InChIKey of N-[[2-(trifluoromethyl)phenyl]methyl]-10H-phenothiazin-2-amine?
The InChIKey is MTHDIALHQICYJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15F3N2S/c21-20(22,23)15-6-2-1-5-13(15)12-24-14-9-10-19-17(11-14)25-16-7-3-4-8-18(16)26-19/h1-11,24-25H,12H2.
What are the key properties of N-[[2-(trifluoromethyl)phenyl]methyl]-10H-phenothiazin-2-amine?
N-[[2-(trifluoromethyl)phenyl]methyl]-10H-phenothiazin-2-amine has a molecular weight of 372.42 g/mol, XLogP of 6.53, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(trifluoromethyl)phenyl]methyl]-10H-phenothiazin-2-amine is sourced from PubChem (CID 22664290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).