4-(3-fluoro-4-methylphenyl)phthalazin-1-amine

C15H12FN3 — CID 115502629

IUPAC4-(3-fluoro-4-methylphenyl)phthalazin-1-amine
SMILESCc1ccc(-c2nnc(N)c3ccccc23)cc1F
InChIInChI=1S/C15H12FN3/c1-9-6-7-10(8-13(9)16)14-11-4-2-3-5-12(11)15(17)19-18-14/h2-8H,1H3,(H2,17,19)
InChIKeyGXMQYCMYRASSAL-UHFFFAOYSA-N
MW253.28 g/mol
LogP3.33
Rot. Bonds1

About 4-(3-fluoro-4-methylphenyl)phthalazin-1-amine

4-(3-fluoro-4-methylphenyl)phthalazin-1-amine (PubChem CID 115502629) has the molecular formula C15H12FN3 and a molecular weight of 253.28 g/mol. Its IUPAC name is 4-(3-fluoro-4-methylphenyl)phthalazin-1-amine.

Molecular Properties

Compound Name4-(3-fluoro-4-methylphenyl)phthalazin-1-amine
PubChem CID115502629
Molecular FormulaC15H12FN3
Molecular Weight253.28 g/mol
Exact Mass253.10
IUPAC Name4-(3-fluoro-4-methylphenyl)phthalazin-1-amine
SMILESCc1ccc(-c2nnc(N)c3ccccc23)cc1F
InChIInChI=1S/C15H12FN3/c1-9-6-7-10(8-13(9)16)14-11-4-2-3-5-12(11)15(17)19-18-14/h2-8H,1H3,(H2,17,19)
InChIKeyGXMQYCMYRASSAL-UHFFFAOYSA-N
XLogP3.33
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.28
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(3-fluoro-4-methylphenyl)phthalazin-1-amine?
The IUPAC name of 4-(3-fluoro-4-methylphenyl)phthalazin-1-amine (CID 115502629) is 4-(3-fluoro-4-methylphenyl)phthalazin-1-amine.
What is the SMILES notation for 4-(3-fluoro-4-methylphenyl)phthalazin-1-amine?
The canonical SMILES for 4-(3-fluoro-4-methylphenyl)phthalazin-1-amine is Cc1ccc(-c2nnc(N)c3ccccc23)cc1F.
What is the InChIKey of 4-(3-fluoro-4-methylphenyl)phthalazin-1-amine?
The InChIKey is GXMQYCMYRASSAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12FN3/c1-9-6-7-10(8-13(9)16)14-11-4-2-3-5-12(11)15(17)19-18-14/h2-8H,1H3,(H2,17,19).
What are the key properties of 4-(3-fluoro-4-methylphenyl)phthalazin-1-amine?
4-(3-fluoro-4-methylphenyl)phthalazin-1-amine has a molecular weight of 253.28 g/mol, XLogP of 3.33, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-fluoro-4-methylphenyl)phthalazin-1-amine is sourced from PubChem (CID 115502629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).