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

C18H19F3N2S — CID 5568

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IUPACN,N-dimethyl-3-[2-(trifluoromethyl)phenothiazin-10-yl]propan-1-amine
SMILESCN(C)CCCN1c2ccccc2Sc2ccc(C(F)(F)F)cc21
InChIInChI=1S/C18H19F3N2S/c1-22(2)10-5-11-23-14-6-3-4-7-16(14)24-17-9-8-13(12-15(17)23)18(19,20)21/h3-4,6-9,12H,5,10-11H2,1-2H3
InChIKeyXSCGXQMFQXDFCW-UHFFFAOYSA-N
MW352.43 g/mol
LogP5.26
Rot. Bonds4

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

N,N-dimethyl-3-[2-(trifluoromethyl)phenothiazin-10-yl]propan-1-amine (PubChem CID 5568) has the molecular formula C18H19F3N2S and a molecular weight of 352.43 g/mol. Its IUPAC name is N,N-dimethyl-3-[2-(trifluoromethyl)phenothiazin-10-yl]propan-1-amine.

Molecular Properties

Compound NameN,N-dimethyl-3-[2-(trifluoromethyl)phenothiazin-10-yl]propan-1-amine
PubChem CID5568
Molecular FormulaC18H19F3N2S
Molecular Weight352.43 g/mol
Exact Mass352.12
IUPAC NameN,N-dimethyl-3-[2-(trifluoromethyl)phenothiazin-10-yl]propan-1-amine
SMILESCN(C)CCCN1c2ccccc2Sc2ccc(C(F)(F)F)cc21
InChIInChI=1S/C18H19F3N2S/c1-22(2)10-5-11-23-14-6-3-4-7-16(14)24-17-9-8-13(12-15(17)23)18(19,20)21/h3-4,6-9,12H,5,10-11H2,1-2H3
InChIKeyXSCGXQMFQXDFCW-UHFFFAOYSA-N
XLogP5.26
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500352.43
LogP ≤ 55.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

Trifluoperazine
CID 5566
Fluphenazine
CID 3372
(+-)-Trimeprazine
CID 5574
Promazine
CID 4926
Methdilazine
CID 14677
Cyamemazine
CID 62865
Methdilazine Hydrochloride
CID 14676
Promazine Hydrochloride
CID 5887
Trifluoperazine Hydrochloride
CID 66064
Fluphenazine Hydrochloride
CID 67356
Pecazine
CID 6075
10H-Phenothiazine-10-propanamine, N,N-dimethyl-2-(trifluoromethyl)-, monohydrochloride
CID 66069

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-3-[2-(trifluoromethyl)phenothiazin-10-yl]propan-1-amine?
The IUPAC name of N,N-dimethyl-3-[2-(trifluoromethyl)phenothiazin-10-yl]propan-1-amine (CID 5568) is N,N-dimethyl-3-[2-(trifluoromethyl)phenothiazin-10-yl]propan-1-amine.
What is the SMILES notation for N,N-dimethyl-3-[2-(trifluoromethyl)phenothiazin-10-yl]propan-1-amine?
The canonical SMILES for N,N-dimethyl-3-[2-(trifluoromethyl)phenothiazin-10-yl]propan-1-amine is CN(C)CCCN1c2ccccc2Sc2ccc(C(F)(F)F)cc21.
What is the InChIKey of N,N-dimethyl-3-[2-(trifluoromethyl)phenothiazin-10-yl]propan-1-amine?
The InChIKey is XSCGXQMFQXDFCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19F3N2S/c1-22(2)10-5-11-23-14-6-3-4-7-16(14)24-17-9-8-13(12-15(17)23)18(19,20)21/h3-4,6-9,12H,5,10-11H2,1-2H3.
What are the key properties of N,N-dimethyl-3-[2-(trifluoromethyl)phenothiazin-10-yl]propan-1-amine?
N,N-dimethyl-3-[2-(trifluoromethyl)phenothiazin-10-yl]propan-1-amine has a molecular weight of 352.43 g/mol, XLogP of 5.26, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-3-[2-(trifluoromethyl)phenothiazin-10-yl]propan-1-amine is sourced from PubChem (CID 5568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).