N,N-dimethyl-1-[4-[6-(2-methylphenyl)-1H-phthalazin-2-yl]-2-(trifluoromethyl)phenyl]methanamine

C25H24F3N3 — CID 141138398

IUPACN,N-dimethyl-1-[4-[6-(2-methylphenyl)-1H-phthalazin-2-yl]-2-(trifluoromethyl)phenyl]methanamine
SMILESCc1ccccc1-c1ccc2c(c1)C=NN(c1ccc(CN(C)C)c(C(F)(F)F)c1)C2
InChIInChI=1S/C25H24F3N3/c1-17-6-4-5-7-23(17)18-8-9-19-16-31(29-14-21(19)12-18)22-11-10-20(15-30(2)3)24(13-22)25(26,27)28/h4-14H,15-16H2,1-3H3
InChIKeyMGZPAZARCSWXSG-UHFFFAOYSA-N
MW423.48 g/mol
LogP6.10
Rot. Bonds4

About N,N-dimethyl-1-[4-[6-(2-methylphenyl)-1H-phthalazin-2-yl]-2-(trifluoromethyl)phenyl]methanamine

N,N-dimethyl-1-[4-[6-(2-methylphenyl)-1H-phthalazin-2-yl]-2-(trifluoromethyl)phenyl]methanamine (PubChem CID 141138398) has the molecular formula C25H24F3N3 and a molecular weight of 423.48 g/mol. Its IUPAC name is N,N-dimethyl-1-[4-[6-(2-methylphenyl)-1H-phthalazin-2-yl]-2-(trifluoromethyl)phenyl]methanamine.

Molecular Properties

Compound NameN,N-dimethyl-1-[4-[6-(2-methylphenyl)-1H-phthalazin-2-yl]-2-(trifluoromethyl)phenyl]methanamine
PubChem CID141138398
Molecular FormulaC25H24F3N3
Molecular Weight423.48 g/mol
Exact Mass423.19
IUPAC NameN,N-dimethyl-1-[4-[6-(2-methylphenyl)-1H-phthalazin-2-yl]-2-(trifluoromethyl)phenyl]methanamine
SMILESCc1ccccc1-c1ccc2c(c1)C=NN(c1ccc(CN(C)C)c(C(F)(F)F)c1)C2
InChIInChI=1S/C25H24F3N3/c1-17-6-4-5-7-23(17)18-8-9-19-16-31(29-14-21(19)12-18)22-11-10-20(15-30(2)3)24(13-22)25(26,27)28/h4-14H,15-16H2,1-3H3
InChIKeyMGZPAZARCSWXSG-UHFFFAOYSA-N
XLogP6.10
TPSA18.84 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500423.48
LogP ≤ 56.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-1-[4-[6-(2-methylphenyl)-1H-phthalazin-2-yl]-2-(trifluoromethyl)phenyl]methanamine?
The IUPAC name of N,N-dimethyl-1-[4-[6-(2-methylphenyl)-1H-phthalazin-2-yl]-2-(trifluoromethyl)phenyl]methanamine (CID 141138398) is N,N-dimethyl-1-[4-[6-(2-methylphenyl)-1H-phthalazin-2-yl]-2-(trifluoromethyl)phenyl]methanamine.
What is the SMILES notation for N,N-dimethyl-1-[4-[6-(2-methylphenyl)-1H-phthalazin-2-yl]-2-(trifluoromethyl)phenyl]methanamine?
The canonical SMILES for N,N-dimethyl-1-[4-[6-(2-methylphenyl)-1H-phthalazin-2-yl]-2-(trifluoromethyl)phenyl]methanamine is Cc1ccccc1-c1ccc2c(c1)C=NN(c1ccc(CN(C)C)c(C(F)(F)F)c1)C2.
What is the InChIKey of N,N-dimethyl-1-[4-[6-(2-methylphenyl)-1H-phthalazin-2-yl]-2-(trifluoromethyl)phenyl]methanamine?
The InChIKey is MGZPAZARCSWXSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24F3N3/c1-17-6-4-5-7-23(17)18-8-9-19-16-31(29-14-21(19)12-18)22-11-10-20(15-30(2)3)24(13-22)25(26,27)28/h4-14H,15-16H2,1-3H3.
What are the key properties of N,N-dimethyl-1-[4-[6-(2-methylphenyl)-1H-phthalazin-2-yl]-2-(trifluoromethyl)phenyl]methanamine?
N,N-dimethyl-1-[4-[6-(2-methylphenyl)-1H-phthalazin-2-yl]-2-(trifluoromethyl)phenyl]methanamine has a molecular weight of 423.48 g/mol, XLogP of 6.10, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-1-[4-[6-(2-methylphenyl)-1H-phthalazin-2-yl]-2-(trifluoromethyl)phenyl]methanamine is sourced from PubChem (CID 141138398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).