N-[(3-methoxyphenyl)methyl]-4-phenylphthalazin-1-amine

C22H19N3O — CID 155568745

IUPACN-[(3-methoxyphenyl)methyl]-4-phenylphthalazin-1-amine
SMILESCOc1cccc(CNc2nnc(-c3ccccc3)c3ccccc23)c1
InChIInChI=1S/C22H19N3O/c1-26-18-11-7-8-16(14-18)15-23-22-20-13-6-5-12-19(20)21(24-25-22)17-9-3-2-4-10-17/h2-14H,15H2,1H3,(H,23,25)
InChIKeyYGBYIZFRPQIOOZ-UHFFFAOYSA-N
MW341.41 g/mol
LogP4.92
Rot. Bonds5

About N-[(3-methoxyphenyl)methyl]-4-phenylphthalazin-1-amine

N-[(3-methoxyphenyl)methyl]-4-phenylphthalazin-1-amine (PubChem CID 155568745) has the molecular formula C22H19N3O and a molecular weight of 341.41 g/mol. Its IUPAC name is N-[(3-methoxyphenyl)methyl]-4-phenylphthalazin-1-amine.

Molecular Properties

Compound NameN-[(3-methoxyphenyl)methyl]-4-phenylphthalazin-1-amine
PubChem CID155568745
Molecular FormulaC22H19N3O
Molecular Weight341.41 g/mol
Exact Mass341.15
IUPAC NameN-[(3-methoxyphenyl)methyl]-4-phenylphthalazin-1-amine
SMILESCOc1cccc(CNc2nnc(-c3ccccc3)c3ccccc23)c1
InChIInChI=1S/C22H19N3O/c1-26-18-11-7-8-16(14-18)15-23-22-20-13-6-5-12-19(20)21(24-25-22)17-9-3-2-4-10-17/h2-14H,15H2,1H3,(H,23,25)
InChIKeyYGBYIZFRPQIOOZ-UHFFFAOYSA-N
XLogP4.92
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.41
LogP ≤ 54.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(3-methoxyphenyl)methyl]-4-phenylphthalazin-1-amine?
The IUPAC name of N-[(3-methoxyphenyl)methyl]-4-phenylphthalazin-1-amine (CID 155568745) is N-[(3-methoxyphenyl)methyl]-4-phenylphthalazin-1-amine.
What is the SMILES notation for N-[(3-methoxyphenyl)methyl]-4-phenylphthalazin-1-amine?
The canonical SMILES for N-[(3-methoxyphenyl)methyl]-4-phenylphthalazin-1-amine is COc1cccc(CNc2nnc(-c3ccccc3)c3ccccc23)c1.
What is the InChIKey of N-[(3-methoxyphenyl)methyl]-4-phenylphthalazin-1-amine?
The InChIKey is YGBYIZFRPQIOOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19N3O/c1-26-18-11-7-8-16(14-18)15-23-22-20-13-6-5-12-19(20)21(24-25-22)17-9-3-2-4-10-17/h2-14H,15H2,1H3,(H,23,25).
What are the key properties of N-[(3-methoxyphenyl)methyl]-4-phenylphthalazin-1-amine?
N-[(3-methoxyphenyl)methyl]-4-phenylphthalazin-1-amine has a molecular weight of 341.41 g/mol, XLogP of 4.92, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-methoxyphenyl)methyl]-4-phenylphthalazin-1-amine is sourced from PubChem (CID 155568745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).