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

C23H21N3O — CID 6407032

IUPAC4-(4-ethoxyphenyl)-N-(4-methylphenyl)phthalazin-1-amine
SMILESCCOc1ccc(-c2nnc(Nc3ccc(C)cc3)c3ccccc23)cc1
InChIInChI=1S/C23H21N3O/c1-3-27-19-14-10-17(11-15-19)22-20-6-4-5-7-21(20)23(26-25-22)24-18-12-8-16(2)9-13-18/h4-15H,3H2,1-2H3,(H,24,26)
InChIKeyKQMCEYMYOXMWTA-UHFFFAOYSA-N
MW355.44 g/mol
LogP5.75
Rot. Bonds5

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

4-(4-ethoxyphenyl)-N-(4-methylphenyl)phthalazin-1-amine (PubChem CID 6407032) has the molecular formula C23H21N3O and a molecular weight of 355.44 g/mol. Its IUPAC name is 4-(4-ethoxyphenyl)-N-(4-methylphenyl)phthalazin-1-amine.

Molecular Properties

Compound Name4-(4-ethoxyphenyl)-N-(4-methylphenyl)phthalazin-1-amine
PubChem CID6407032
Molecular FormulaC23H21N3O
Molecular Weight355.44 g/mol
Exact Mass355.17
IUPAC Name4-(4-ethoxyphenyl)-N-(4-methylphenyl)phthalazin-1-amine
SMILESCCOc1ccc(-c2nnc(Nc3ccc(C)cc3)c3ccccc23)cc1
InChIInChI=1S/C23H21N3O/c1-3-27-19-14-10-17(11-15-19)22-20-6-4-5-7-21(20)23(26-25-22)24-18-12-8-16(2)9-13-18/h4-15H,3H2,1-2H3,(H,24,26)
InChIKeyKQMCEYMYOXMWTA-UHFFFAOYSA-N
XLogP5.75
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500355.44
LogP ≤ 55.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(4-ethoxyphenyl)-N-(4-methylphenyl)phthalazin-1-amine?
The IUPAC name of 4-(4-ethoxyphenyl)-N-(4-methylphenyl)phthalazin-1-amine (CID 6407032) is 4-(4-ethoxyphenyl)-N-(4-methylphenyl)phthalazin-1-amine.
What is the SMILES notation for 4-(4-ethoxyphenyl)-N-(4-methylphenyl)phthalazin-1-amine?
The canonical SMILES for 4-(4-ethoxyphenyl)-N-(4-methylphenyl)phthalazin-1-amine is CCOc1ccc(-c2nnc(Nc3ccc(C)cc3)c3ccccc23)cc1.
What is the InChIKey of 4-(4-ethoxyphenyl)-N-(4-methylphenyl)phthalazin-1-amine?
The InChIKey is KQMCEYMYOXMWTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21N3O/c1-3-27-19-14-10-17(11-15-19)22-20-6-4-5-7-21(20)23(26-25-22)24-18-12-8-16(2)9-13-18/h4-15H,3H2,1-2H3,(H,24,26).
What are the key properties of 4-(4-ethoxyphenyl)-N-(4-methylphenyl)phthalazin-1-amine?
4-(4-ethoxyphenyl)-N-(4-methylphenyl)phthalazin-1-amine has a molecular weight of 355.44 g/mol, XLogP of 5.75, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-ethoxyphenyl)-N-(4-methylphenyl)phthalazin-1-amine is sourced from PubChem (CID 6407032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).