3-[1-(trifluoromethyl)phenothiazin-10-yl]propan-1-amine

C16H15F3N2S — CID 68985377

IUPAC3-[1-(trifluoromethyl)phenothiazin-10-yl]propan-1-amine
SMILESNCCCN1c2ccccc2Sc2cccc(C(F)(F)F)c21
InChIInChI=1S/C16H15F3N2S/c17-16(18,19)11-5-3-8-14-15(11)21(10-4-9-20)12-6-1-2-7-13(12)22-14/h1-3,5-8H,4,9-10,20H2
InChIKeySSJHGEYZVZSUCT-UHFFFAOYSA-N
MW324.37 g/mol
LogP4.66
Rot. Bonds3

About 3-[1-(trifluoromethyl)phenothiazin-10-yl]propan-1-amine

3-[1-(trifluoromethyl)phenothiazin-10-yl]propan-1-amine (PubChem CID 68985377) has the molecular formula C16H15F3N2S and a molecular weight of 324.37 g/mol. Its IUPAC name is 3-[1-(trifluoromethyl)phenothiazin-10-yl]propan-1-amine.

Molecular Properties

Compound Name3-[1-(trifluoromethyl)phenothiazin-10-yl]propan-1-amine
PubChem CID68985377
Molecular FormulaC16H15F3N2S
Molecular Weight324.37 g/mol
Exact Mass324.09
IUPAC Name3-[1-(trifluoromethyl)phenothiazin-10-yl]propan-1-amine
SMILESNCCCN1c2ccccc2Sc2cccc(C(F)(F)F)c21
InChIInChI=1S/C16H15F3N2S/c17-16(18,19)11-5-3-8-14-15(11)21(10-4-9-20)12-6-1-2-7-13(12)22-14/h1-3,5-8H,4,9-10,20H2
InChIKeySSJHGEYZVZSUCT-UHFFFAOYSA-N
XLogP4.66
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.37
LogP ≤ 54.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[1-(trifluoromethyl)phenothiazin-10-yl]propan-1-amine?
The IUPAC name of 3-[1-(trifluoromethyl)phenothiazin-10-yl]propan-1-amine (CID 68985377) is 3-[1-(trifluoromethyl)phenothiazin-10-yl]propan-1-amine.
What is the SMILES notation for 3-[1-(trifluoromethyl)phenothiazin-10-yl]propan-1-amine?
The canonical SMILES for 3-[1-(trifluoromethyl)phenothiazin-10-yl]propan-1-amine is NCCCN1c2ccccc2Sc2cccc(C(F)(F)F)c21.
What is the InChIKey of 3-[1-(trifluoromethyl)phenothiazin-10-yl]propan-1-amine?
The InChIKey is SSJHGEYZVZSUCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15F3N2S/c17-16(18,19)11-5-3-8-14-15(11)21(10-4-9-20)12-6-1-2-7-13(12)22-14/h1-3,5-8H,4,9-10,20H2.
What are the key properties of 3-[1-(trifluoromethyl)phenothiazin-10-yl]propan-1-amine?
3-[1-(trifluoromethyl)phenothiazin-10-yl]propan-1-amine has a molecular weight of 324.37 g/mol, XLogP of 4.66, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(trifluoromethyl)phenothiazin-10-yl]propan-1-amine is sourced from PubChem (CID 68985377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).