N-(4-methoxyphenyl)-N-methyl-4-phenylphthalazin-1-amine

C22H19N3O — CID 71540053

IUPACN-(4-methoxyphenyl)-N-methyl-4-phenylphthalazin-1-amine
SMILESCOc1ccc(N(C)c2nnc(-c3ccccc3)c3ccccc23)cc1
InChIInChI=1S/C22H19N3O/c1-25(17-12-14-18(26-2)15-13-17)22-20-11-7-6-10-19(20)21(23-24-22)16-8-4-3-5-9-16/h3-15H,1-2H3
InChIKeyGTNCMTSQANIIOM-UHFFFAOYSA-N
MW341.41 g/mol
LogP5.07
Rot. Bonds4

About N-(4-methoxyphenyl)-N-methyl-4-phenylphthalazin-1-amine

N-(4-methoxyphenyl)-N-methyl-4-phenylphthalazin-1-amine (PubChem CID 71540053) has the molecular formula C22H19N3O and a molecular weight of 341.41 g/mol. Its IUPAC name is N-(4-methoxyphenyl)-N-methyl-4-phenylphthalazin-1-amine.

Molecular Properties

Compound NameN-(4-methoxyphenyl)-N-methyl-4-phenylphthalazin-1-amine
PubChem CID71540053
Molecular FormulaC22H19N3O
Molecular Weight341.41 g/mol
Exact Mass341.15
IUPAC NameN-(4-methoxyphenyl)-N-methyl-4-phenylphthalazin-1-amine
SMILESCOc1ccc(N(C)c2nnc(-c3ccccc3)c3ccccc23)cc1
InChIInChI=1S/C22H19N3O/c1-25(17-12-14-18(26-2)15-13-17)22-20-11-7-6-10-19(20)21(23-24-22)16-8-4-3-5-9-16/h3-15H,1-2H3
InChIKeyGTNCMTSQANIIOM-UHFFFAOYSA-N
XLogP5.07
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500341.41
LogP ≤ 55.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(4-methoxyphenyl)-N-methyl-4-phenylphthalazin-1-amine?
The IUPAC name of N-(4-methoxyphenyl)-N-methyl-4-phenylphthalazin-1-amine (CID 71540053) is N-(4-methoxyphenyl)-N-methyl-4-phenylphthalazin-1-amine.
What is the SMILES notation for N-(4-methoxyphenyl)-N-methyl-4-phenylphthalazin-1-amine?
The canonical SMILES for N-(4-methoxyphenyl)-N-methyl-4-phenylphthalazin-1-amine is COc1ccc(N(C)c2nnc(-c3ccccc3)c3ccccc23)cc1.
What is the InChIKey of N-(4-methoxyphenyl)-N-methyl-4-phenylphthalazin-1-amine?
The InChIKey is GTNCMTSQANIIOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19N3O/c1-25(17-12-14-18(26-2)15-13-17)22-20-11-7-6-10-19(20)21(23-24-22)16-8-4-3-5-9-16/h3-15H,1-2H3.
What are the key properties of N-(4-methoxyphenyl)-N-methyl-4-phenylphthalazin-1-amine?
N-(4-methoxyphenyl)-N-methyl-4-phenylphthalazin-1-amine has a molecular weight of 341.41 g/mol, XLogP of 5.07, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methoxyphenyl)-N-methyl-4-phenylphthalazin-1-amine is sourced from PubChem (CID 71540053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).