N-methyl-10-[2-methyl-4-(trifluoromethyl)phenyl]acridin-9-imine

C22H17F3N2 — CID 135209440

IUPACN-methyl-10-[2-methyl-4-(trifluoromethyl)phenyl]acridin-9-imine
SMILESCN=c1c2ccccc2n(-c2ccc(C(F)(F)F)cc2C)c2ccccc12
InChIInChI=1S/C22H17F3N2/c1-14-13-15(22(23,24)25)11-12-18(14)27-19-9-5-3-7-16(19)21(26-2)17-8-4-6-10-20(17)27/h3-13H,1-2H3
InChIKeyVNXPMDRHGTUAOR-UHFFFAOYSA-N
MW366.39 g/mol
LogP5.64
Rot. Bonds1

About N-methyl-10-[2-methyl-4-(trifluoromethyl)phenyl]acridin-9-imine

N-methyl-10-[2-methyl-4-(trifluoromethyl)phenyl]acridin-9-imine (PubChem CID 135209440) has the molecular formula C22H17F3N2 and a molecular weight of 366.39 g/mol. Its IUPAC name is N-methyl-10-[2-methyl-4-(trifluoromethyl)phenyl]acridin-9-imine.

Molecular Properties

Compound NameN-methyl-10-[2-methyl-4-(trifluoromethyl)phenyl]acridin-9-imine
PubChem CID135209440
Molecular FormulaC22H17F3N2
Molecular Weight366.39 g/mol
Exact Mass366.13
IUPAC NameN-methyl-10-[2-methyl-4-(trifluoromethyl)phenyl]acridin-9-imine
SMILESCN=c1c2ccccc2n(-c2ccc(C(F)(F)F)cc2C)c2ccccc12
InChIInChI=1S/C22H17F3N2/c1-14-13-15(22(23,24)25)11-12-18(14)27-19-9-5-3-7-16(19)21(26-2)17-8-4-6-10-20(17)27/h3-13H,1-2H3
InChIKeyVNXPMDRHGTUAOR-UHFFFAOYSA-N
XLogP5.64
TPSA17.29 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500366.39
LogP ≤ 55.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-methyl-10-[2-methyl-4-(trifluoromethyl)phenyl]acridin-9-imine?
The IUPAC name of N-methyl-10-[2-methyl-4-(trifluoromethyl)phenyl]acridin-9-imine (CID 135209440) is N-methyl-10-[2-methyl-4-(trifluoromethyl)phenyl]acridin-9-imine.
What is the SMILES notation for N-methyl-10-[2-methyl-4-(trifluoromethyl)phenyl]acridin-9-imine?
The canonical SMILES for N-methyl-10-[2-methyl-4-(trifluoromethyl)phenyl]acridin-9-imine is CN=c1c2ccccc2n(-c2ccc(C(F)(F)F)cc2C)c2ccccc12.
What is the InChIKey of N-methyl-10-[2-methyl-4-(trifluoromethyl)phenyl]acridin-9-imine?
The InChIKey is VNXPMDRHGTUAOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17F3N2/c1-14-13-15(22(23,24)25)11-12-18(14)27-19-9-5-3-7-16(19)21(26-2)17-8-4-6-10-20(17)27/h3-13H,1-2H3.
What are the key properties of N-methyl-10-[2-methyl-4-(trifluoromethyl)phenyl]acridin-9-imine?
N-methyl-10-[2-methyl-4-(trifluoromethyl)phenyl]acridin-9-imine has a molecular weight of 366.39 g/mol, XLogP of 5.64, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-10-[2-methyl-4-(trifluoromethyl)phenyl]acridin-9-imine is sourced from PubChem (CID 135209440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).