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

C23H21N3O — CID 71541582

IUPACN-(4-ethylphenyl)-4-(4-methoxyphenyl)phthalazin-1-amine
SMILESCCc1ccc(Nc2nnc(-c3ccc(OC)cc3)c3ccccc23)cc1
InChIInChI=1S/C23H21N3O/c1-3-16-8-12-18(13-9-16)24-23-21-7-5-4-6-20(21)22(25-26-23)17-10-14-19(27-2)15-11-17/h4-15H,3H2,1-2H3,(H,24,26)
InChIKeyTZCWPKBRCNVGFH-UHFFFAOYSA-N
MW355.44 g/mol
LogP5.61
Rot. Bonds5

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

N-(4-ethylphenyl)-4-(4-methoxyphenyl)phthalazin-1-amine (PubChem CID 71541582) has the molecular formula C23H21N3O and a molecular weight of 355.44 g/mol. Its IUPAC name is N-(4-ethylphenyl)-4-(4-methoxyphenyl)phthalazin-1-amine.

Molecular Properties

Compound NameN-(4-ethylphenyl)-4-(4-methoxyphenyl)phthalazin-1-amine
PubChem CID71541582
Molecular FormulaC23H21N3O
Molecular Weight355.44 g/mol
Exact Mass355.17
IUPAC NameN-(4-ethylphenyl)-4-(4-methoxyphenyl)phthalazin-1-amine
SMILESCCc1ccc(Nc2nnc(-c3ccc(OC)cc3)c3ccccc23)cc1
InChIInChI=1S/C23H21N3O/c1-3-16-8-12-18(13-9-16)24-23-21-7-5-4-6-20(21)22(25-26-23)17-10-14-19(27-2)15-11-17/h4-15H,3H2,1-2H3,(H,24,26)
InChIKeyTZCWPKBRCNVGFH-UHFFFAOYSA-N
XLogP5.61
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 ≤ 55.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(4-ethylphenyl)-4-(4-methoxyphenyl)phthalazin-1-amine?
The IUPAC name of N-(4-ethylphenyl)-4-(4-methoxyphenyl)phthalazin-1-amine (CID 71541582) is N-(4-ethylphenyl)-4-(4-methoxyphenyl)phthalazin-1-amine.
What is the SMILES notation for N-(4-ethylphenyl)-4-(4-methoxyphenyl)phthalazin-1-amine?
The canonical SMILES for N-(4-ethylphenyl)-4-(4-methoxyphenyl)phthalazin-1-amine is CCc1ccc(Nc2nnc(-c3ccc(OC)cc3)c3ccccc23)cc1.
What is the InChIKey of N-(4-ethylphenyl)-4-(4-methoxyphenyl)phthalazin-1-amine?
The InChIKey is TZCWPKBRCNVGFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21N3O/c1-3-16-8-12-18(13-9-16)24-23-21-7-5-4-6-20(21)22(25-26-23)17-10-14-19(27-2)15-11-17/h4-15H,3H2,1-2H3,(H,24,26).
What are the key properties of N-(4-ethylphenyl)-4-(4-methoxyphenyl)phthalazin-1-amine?
N-(4-ethylphenyl)-4-(4-methoxyphenyl)phthalazin-1-amine has a molecular weight of 355.44 g/mol, XLogP of 5.61, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethylphenyl)-4-(4-methoxyphenyl)phthalazin-1-amine is sourced from PubChem (CID 71541582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).