4-(4-methoxyphenyl)-N-(4-methylphenyl)phthalazin-1-amine

C22H19N3O — CID 5494638

IUPAC4-(4-methoxyphenyl)-N-(4-methylphenyl)phthalazin-1-amine
SMILESCOc1ccc(-c2nnc(Nc3ccc(C)cc3)c3ccccc23)cc1
InChIInChI=1S/C22H19N3O/c1-15-7-11-17(12-8-15)23-22-20-6-4-3-5-19(20)21(24-25-22)16-9-13-18(26-2)14-10-16/h3-14H,1-2H3,(H,23,25)
InChIKeySKLPHDZAYWEKJF-UHFFFAOYSA-N
MW341.41 g/mol
LogP5.36
Rot. Bonds4

About 4-(4-methoxyphenyl)-N-(4-methylphenyl)phthalazin-1-amine

4-(4-methoxyphenyl)-N-(4-methylphenyl)phthalazin-1-amine (PubChem CID 5494638) has the molecular formula C22H19N3O and a molecular weight of 341.41 g/mol. Its IUPAC name is 4-(4-methoxyphenyl)-N-(4-methylphenyl)phthalazin-1-amine.

Molecular Properties

Compound Name4-(4-methoxyphenyl)-N-(4-methylphenyl)phthalazin-1-amine
PubChem CID5494638
Molecular FormulaC22H19N3O
Molecular Weight341.41 g/mol
Exact Mass341.15
IUPAC Name4-(4-methoxyphenyl)-N-(4-methylphenyl)phthalazin-1-amine
SMILESCOc1ccc(-c2nnc(Nc3ccc(C)cc3)c3ccccc23)cc1
InChIInChI=1S/C22H19N3O/c1-15-7-11-17(12-8-15)23-22-20-6-4-3-5-19(20)21(24-25-22)16-9-13-18(26-2)14-10-16/h3-14H,1-2H3,(H,23,25)
InChIKeySKLPHDZAYWEKJF-UHFFFAOYSA-N
XLogP5.36
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500341.41
LogP ≤ 55.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(4-methoxyphenyl)-N-(4-methylphenyl)phthalazin-1-amine?
The IUPAC name of 4-(4-methoxyphenyl)-N-(4-methylphenyl)phthalazin-1-amine (CID 5494638) is 4-(4-methoxyphenyl)-N-(4-methylphenyl)phthalazin-1-amine.
What is the SMILES notation for 4-(4-methoxyphenyl)-N-(4-methylphenyl)phthalazin-1-amine?
The canonical SMILES for 4-(4-methoxyphenyl)-N-(4-methylphenyl)phthalazin-1-amine is COc1ccc(-c2nnc(Nc3ccc(C)cc3)c3ccccc23)cc1.
What is the InChIKey of 4-(4-methoxyphenyl)-N-(4-methylphenyl)phthalazin-1-amine?
The InChIKey is SKLPHDZAYWEKJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19N3O/c1-15-7-11-17(12-8-15)23-22-20-6-4-3-5-19(20)21(24-25-22)16-9-13-18(26-2)14-10-16/h3-14H,1-2H3,(H,23,25).
What are the key properties of 4-(4-methoxyphenyl)-N-(4-methylphenyl)phthalazin-1-amine?
4-(4-methoxyphenyl)-N-(4-methylphenyl)phthalazin-1-amine has a molecular weight of 341.41 g/mol, XLogP of 5.36, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methoxyphenyl)-N-(4-methylphenyl)phthalazin-1-amine is sourced from PubChem (CID 5494638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).