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

C23H21N3O — CID 71541705

IUPAC4-(4-methoxyphenyl)-N-methyl-N-(4-methylphenyl)phthalazin-1-amine
SMILESCOc1ccc(-c2nnc(N(C)c3ccc(C)cc3)c3ccccc23)cc1
InChIInChI=1S/C23H21N3O/c1-16-8-12-18(13-9-16)26(2)23-21-7-5-4-6-20(21)22(24-25-23)17-10-14-19(27-3)15-11-17/h4-15H,1-3H3
InChIKeyLDRAEHCNKSBVKC-UHFFFAOYSA-N
MW355.44 g/mol
LogP5.38
Rot. Bonds4

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

4-(4-methoxyphenyl)-N-methyl-N-(4-methylphenyl)phthalazin-1-amine (PubChem CID 71541705) has the molecular formula C23H21N3O and a molecular weight of 355.44 g/mol. Its IUPAC name is 4-(4-methoxyphenyl)-N-methyl-N-(4-methylphenyl)phthalazin-1-amine.

Molecular Properties

Compound Name4-(4-methoxyphenyl)-N-methyl-N-(4-methylphenyl)phthalazin-1-amine
PubChem CID71541705
Molecular FormulaC23H21N3O
Molecular Weight355.44 g/mol
Exact Mass355.17
IUPAC Name4-(4-methoxyphenyl)-N-methyl-N-(4-methylphenyl)phthalazin-1-amine
SMILESCOc1ccc(-c2nnc(N(C)c3ccc(C)cc3)c3ccccc23)cc1
InChIInChI=1S/C23H21N3O/c1-16-8-12-18(13-9-16)26(2)23-21-7-5-4-6-20(21)22(24-25-23)17-10-14-19(27-3)15-11-17/h4-15H,1-3H3
InChIKeyLDRAEHCNKSBVKC-UHFFFAOYSA-N
XLogP5.38
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500355.44
LogP ≤ 55.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(4-methoxyphenyl)-N-methyl-N-(4-methylphenyl)phthalazin-1-amine?
The IUPAC name of 4-(4-methoxyphenyl)-N-methyl-N-(4-methylphenyl)phthalazin-1-amine (CID 71541705) is 4-(4-methoxyphenyl)-N-methyl-N-(4-methylphenyl)phthalazin-1-amine.
What is the SMILES notation for 4-(4-methoxyphenyl)-N-methyl-N-(4-methylphenyl)phthalazin-1-amine?
The canonical SMILES for 4-(4-methoxyphenyl)-N-methyl-N-(4-methylphenyl)phthalazin-1-amine is COc1ccc(-c2nnc(N(C)c3ccc(C)cc3)c3ccccc23)cc1.
What is the InChIKey of 4-(4-methoxyphenyl)-N-methyl-N-(4-methylphenyl)phthalazin-1-amine?
The InChIKey is LDRAEHCNKSBVKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21N3O/c1-16-8-12-18(13-9-16)26(2)23-21-7-5-4-6-20(21)22(24-25-23)17-10-14-19(27-3)15-11-17/h4-15H,1-3H3.
What are the key properties of 4-(4-methoxyphenyl)-N-methyl-N-(4-methylphenyl)phthalazin-1-amine?
4-(4-methoxyphenyl)-N-methyl-N-(4-methylphenyl)phthalazin-1-amine has a molecular weight of 355.44 g/mol, XLogP of 5.38, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methoxyphenyl)-N-methyl-N-(4-methylphenyl)phthalazin-1-amine is sourced from PubChem (CID 71541705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).