4-[4-(dimethylamino)phenyl]-N-(4-methylphenyl)phthalazin-1-amine

C23H22N4 — CID 71541481

IUPAC4-[4-(dimethylamino)phenyl]-N-(4-methylphenyl)phthalazin-1-amine
SMILESCc1ccc(Nc2nnc(-c3ccc(N(C)C)cc3)c3ccccc23)cc1
InChIInChI=1S/C23H22N4/c1-16-8-12-18(13-9-16)24-23-21-7-5-4-6-20(21)22(25-26-23)17-10-14-19(15-11-17)27(2)3/h4-15H,1-3H3,(H,24,26)
InChIKeyGZZSSDDBWSJSEN-UHFFFAOYSA-N
MW354.46 g/mol
LogP5.41
Rot. Bonds4

About 4-[4-(dimethylamino)phenyl]-N-(4-methylphenyl)phthalazin-1-amine

4-[4-(dimethylamino)phenyl]-N-(4-methylphenyl)phthalazin-1-amine (PubChem CID 71541481) has the molecular formula C23H22N4 and a molecular weight of 354.46 g/mol. Its IUPAC name is 4-[4-(dimethylamino)phenyl]-N-(4-methylphenyl)phthalazin-1-amine.

Molecular Properties

Compound Name4-[4-(dimethylamino)phenyl]-N-(4-methylphenyl)phthalazin-1-amine
PubChem CID71541481
Molecular FormulaC23H22N4
Molecular Weight354.46 g/mol
Exact Mass354.18
IUPAC Name4-[4-(dimethylamino)phenyl]-N-(4-methylphenyl)phthalazin-1-amine
SMILESCc1ccc(Nc2nnc(-c3ccc(N(C)C)cc3)c3ccccc23)cc1
InChIInChI=1S/C23H22N4/c1-16-8-12-18(13-9-16)24-23-21-7-5-4-6-20(21)22(25-26-23)17-10-14-19(15-11-17)27(2)3/h4-15H,1-3H3,(H,24,26)
InChIKeyGZZSSDDBWSJSEN-UHFFFAOYSA-N
XLogP5.41
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500354.46
LogP ≤ 55.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[4-(dimethylamino)phenyl]-N-(4-methylphenyl)phthalazin-1-amine?
The IUPAC name of 4-[4-(dimethylamino)phenyl]-N-(4-methylphenyl)phthalazin-1-amine (CID 71541481) is 4-[4-(dimethylamino)phenyl]-N-(4-methylphenyl)phthalazin-1-amine.
What is the SMILES notation for 4-[4-(dimethylamino)phenyl]-N-(4-methylphenyl)phthalazin-1-amine?
The canonical SMILES for 4-[4-(dimethylamino)phenyl]-N-(4-methylphenyl)phthalazin-1-amine is Cc1ccc(Nc2nnc(-c3ccc(N(C)C)cc3)c3ccccc23)cc1.
What is the InChIKey of 4-[4-(dimethylamino)phenyl]-N-(4-methylphenyl)phthalazin-1-amine?
The InChIKey is GZZSSDDBWSJSEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N4/c1-16-8-12-18(13-9-16)24-23-21-7-5-4-6-20(21)22(25-26-23)17-10-14-19(15-11-17)27(2)3/h4-15H,1-3H3,(H,24,26).
What are the key properties of 4-[4-(dimethylamino)phenyl]-N-(4-methylphenyl)phthalazin-1-amine?
4-[4-(dimethylamino)phenyl]-N-(4-methylphenyl)phthalazin-1-amine has a molecular weight of 354.46 g/mol, XLogP of 5.41, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(dimethylamino)phenyl]-N-(4-methylphenyl)phthalazin-1-amine is sourced from PubChem (CID 71541481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).