N-methyl-3-[2-(trifluoromethyl)phenothiazin-10-yl]propan-1-amine

C17H17F3N2S — CID 10337209

IUPACN-methyl-3-[2-(trifluoromethyl)phenothiazin-10-yl]propan-1-amine
SMILESCNCCCN1c2ccccc2Sc2ccc(C(F)(F)F)cc21
InChIInChI=1S/C17H17F3N2S/c1-21-9-4-10-22-13-5-2-3-6-15(13)23-16-8-7-12(11-14(16)22)17(18,19)20/h2-3,5-8,11,21H,4,9-10H2,1H3
InChIKeyOJLFFESELHQPKS-UHFFFAOYSA-N
MW338.40 g/mol
LogP4.92
Rot. Bonds4

About N-methyl-3-[2-(trifluoromethyl)phenothiazin-10-yl]propan-1-amine

N-methyl-3-[2-(trifluoromethyl)phenothiazin-10-yl]propan-1-amine (PubChem CID 10337209) has the molecular formula C17H17F3N2S and a molecular weight of 338.40 g/mol. Its IUPAC name is N-methyl-3-[2-(trifluoromethyl)phenothiazin-10-yl]propan-1-amine.

Molecular Properties

Compound NameN-methyl-3-[2-(trifluoromethyl)phenothiazin-10-yl]propan-1-amine
PubChem CID10337209
Molecular FormulaC17H17F3N2S
Molecular Weight338.40 g/mol
Exact Mass338.11
IUPAC NameN-methyl-3-[2-(trifluoromethyl)phenothiazin-10-yl]propan-1-amine
SMILESCNCCCN1c2ccccc2Sc2ccc(C(F)(F)F)cc21
InChIInChI=1S/C17H17F3N2S/c1-21-9-4-10-22-13-5-2-3-6-15(13)23-16-8-7-12(11-14(16)22)17(18,19)20/h2-3,5-8,11,21H,4,9-10H2,1H3
InChIKeyOJLFFESELHQPKS-UHFFFAOYSA-N
XLogP4.92
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.40
LogP ≤ 54.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze N-methyl-3-[2-(trifluoromethyl)phenothiazin-10-yl]propan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-methyl-3-[2-(trifluoromethyl)phenothiazin-10-yl]propan-1-amine?
The IUPAC name of N-methyl-3-[2-(trifluoromethyl)phenothiazin-10-yl]propan-1-amine (CID 10337209) is N-methyl-3-[2-(trifluoromethyl)phenothiazin-10-yl]propan-1-amine.
What is the SMILES notation for N-methyl-3-[2-(trifluoromethyl)phenothiazin-10-yl]propan-1-amine?
The canonical SMILES for N-methyl-3-[2-(trifluoromethyl)phenothiazin-10-yl]propan-1-amine is CNCCCN1c2ccccc2Sc2ccc(C(F)(F)F)cc21.
What is the InChIKey of N-methyl-3-[2-(trifluoromethyl)phenothiazin-10-yl]propan-1-amine?
The InChIKey is OJLFFESELHQPKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17F3N2S/c1-21-9-4-10-22-13-5-2-3-6-15(13)23-16-8-7-12(11-14(16)22)17(18,19)20/h2-3,5-8,11,21H,4,9-10H2,1H3.
What are the key properties of N-methyl-3-[2-(trifluoromethyl)phenothiazin-10-yl]propan-1-amine?
N-methyl-3-[2-(trifluoromethyl)phenothiazin-10-yl]propan-1-amine has a molecular weight of 338.40 g/mol, XLogP of 4.92, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-3-[2-(trifluoromethyl)phenothiazin-10-yl]propan-1-amine is sourced from PubChem (CID 10337209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).