4-(4-methoxyphenyl)-N-(3-methylphenyl)phthalazin-1-amine

C22H19N3O — CID 17129186

IUPAC4-(4-methoxyphenyl)-N-(3-methylphenyl)phthalazin-1-amine
SMILESCOc1ccc(-c2nnc(Nc3cccc(C)c3)c3ccccc23)cc1
InChIInChI=1S/C22H19N3O/c1-15-6-5-7-17(14-15)23-22-20-9-4-3-8-19(20)21(24-25-22)16-10-12-18(26-2)13-11-16/h3-14H,1-2H3,(H,23,25)
InChIKeyBMMSZDRFACHGCN-UHFFFAOYSA-N
MW341.41 g/mol
LogP5.36
Rot. Bonds4

About 4-(4-methoxyphenyl)-N-(3-methylphenyl)phthalazin-1-amine

4-(4-methoxyphenyl)-N-(3-methylphenyl)phthalazin-1-amine (PubChem CID 17129186) has the molecular formula C22H19N3O and a molecular weight of 341.41 g/mol. Its IUPAC name is 4-(4-methoxyphenyl)-N-(3-methylphenyl)phthalazin-1-amine.

Molecular Properties

Compound Name4-(4-methoxyphenyl)-N-(3-methylphenyl)phthalazin-1-amine
PubChem CID17129186
Molecular FormulaC22H19N3O
Molecular Weight341.41 g/mol
Exact Mass341.15
IUPAC Name4-(4-methoxyphenyl)-N-(3-methylphenyl)phthalazin-1-amine
SMILESCOc1ccc(-c2nnc(Nc3cccc(C)c3)c3ccccc23)cc1
InChIInChI=1S/C22H19N3O/c1-15-6-5-7-17(14-15)23-22-20-9-4-3-8-19(20)21(24-25-22)16-10-12-18(26-2)13-11-16/h3-14H,1-2H3,(H,23,25)
InChIKeyBMMSZDRFACHGCN-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-(3-methylphenyl)phthalazin-1-amine?
The IUPAC name of 4-(4-methoxyphenyl)-N-(3-methylphenyl)phthalazin-1-amine (CID 17129186) is 4-(4-methoxyphenyl)-N-(3-methylphenyl)phthalazin-1-amine.
What is the SMILES notation for 4-(4-methoxyphenyl)-N-(3-methylphenyl)phthalazin-1-amine?
The canonical SMILES for 4-(4-methoxyphenyl)-N-(3-methylphenyl)phthalazin-1-amine is COc1ccc(-c2nnc(Nc3cccc(C)c3)c3ccccc23)cc1.
What is the InChIKey of 4-(4-methoxyphenyl)-N-(3-methylphenyl)phthalazin-1-amine?
The InChIKey is BMMSZDRFACHGCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19N3O/c1-15-6-5-7-17(14-15)23-22-20-9-4-3-8-19(20)21(24-25-22)16-10-12-18(26-2)13-11-16/h3-14H,1-2H3,(H,23,25).
What are the key properties of 4-(4-methoxyphenyl)-N-(3-methylphenyl)phthalazin-1-amine?
4-(4-methoxyphenyl)-N-(3-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-(3-methylphenyl)phthalazin-1-amine is sourced from PubChem (CID 17129186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).