[4-phthalazin-1-yl-2-(trifluoromethyl)phenyl]methanamine

C16H12F3N3 — CID 157040015

IUPAC[4-phthalazin-1-yl-2-(trifluoromethyl)phenyl]methanamine
SMILESNCc1ccc(-c2nncc3ccccc23)cc1C(F)(F)F
InChIInChI=1S/C16H12F3N3/c17-16(18,19)14-7-10(5-6-11(14)8-20)15-13-4-2-1-3-12(13)9-21-22-15/h1-7,9H,8,20H2
InChIKeyZILTWXHGAFDSQR-UHFFFAOYSA-N
MW303.29 g/mol
LogP3.77
Rot. Bonds2

About [4-phthalazin-1-yl-2-(trifluoromethyl)phenyl]methanamine

[4-phthalazin-1-yl-2-(trifluoromethyl)phenyl]methanamine (PubChem CID 157040015) has the molecular formula C16H12F3N3 and a molecular weight of 303.29 g/mol. Its IUPAC name is [4-phthalazin-1-yl-2-(trifluoromethyl)phenyl]methanamine.

Molecular Properties

Compound Name[4-phthalazin-1-yl-2-(trifluoromethyl)phenyl]methanamine
PubChem CID157040015
Molecular FormulaC16H12F3N3
Molecular Weight303.29 g/mol
Exact Mass303.10
IUPAC Name[4-phthalazin-1-yl-2-(trifluoromethyl)phenyl]methanamine
SMILESNCc1ccc(-c2nncc3ccccc23)cc1C(F)(F)F
InChIInChI=1S/C16H12F3N3/c17-16(18,19)14-7-10(5-6-11(14)8-20)15-13-4-2-1-3-12(13)9-21-22-15/h1-7,9H,8,20H2
InChIKeyZILTWXHGAFDSQR-UHFFFAOYSA-N
XLogP3.77
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.29
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze [4-phthalazin-1-yl-2-(trifluoromethyl)phenyl]methanamine 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 [4-phthalazin-1-yl-2-(trifluoromethyl)phenyl]methanamine?
The IUPAC name of [4-phthalazin-1-yl-2-(trifluoromethyl)phenyl]methanamine (CID 157040015) is [4-phthalazin-1-yl-2-(trifluoromethyl)phenyl]methanamine.
What is the SMILES notation for [4-phthalazin-1-yl-2-(trifluoromethyl)phenyl]methanamine?
The canonical SMILES for [4-phthalazin-1-yl-2-(trifluoromethyl)phenyl]methanamine is NCc1ccc(-c2nncc3ccccc23)cc1C(F)(F)F.
What is the InChIKey of [4-phthalazin-1-yl-2-(trifluoromethyl)phenyl]methanamine?
The InChIKey is ZILTWXHGAFDSQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12F3N3/c17-16(18,19)14-7-10(5-6-11(14)8-20)15-13-4-2-1-3-12(13)9-21-22-15/h1-7,9H,8,20H2.
What are the key properties of [4-phthalazin-1-yl-2-(trifluoromethyl)phenyl]methanamine?
[4-phthalazin-1-yl-2-(trifluoromethyl)phenyl]methanamine has a molecular weight of 303.29 g/mol, XLogP of 3.77, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-phthalazin-1-yl-2-(trifluoromethyl)phenyl]methanamine is sourced from PubChem (CID 157040015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).