N-[(2-methoxyphenyl)methyl]-4-phenylphthalazin-1-amine

C22H19N3O — CID 155567765

IUPACN-[(2-methoxyphenyl)methyl]-4-phenylphthalazin-1-amine
SMILESCOc1ccccc1CNc1nnc(-c2ccccc2)c2ccccc12
InChIInChI=1S/C22H19N3O/c1-26-20-14-8-5-11-17(20)15-23-22-19-13-7-6-12-18(19)21(24-25-22)16-9-3-2-4-10-16/h2-14H,15H2,1H3,(H,23,25)
InChIKeyMNULTCRJUNUENU-UHFFFAOYSA-N
MW341.41 g/mol
LogP4.92
Rot. Bonds5

About N-[(2-methoxyphenyl)methyl]-4-phenylphthalazin-1-amine

N-[(2-methoxyphenyl)methyl]-4-phenylphthalazin-1-amine (PubChem CID 155567765) has the molecular formula C22H19N3O and a molecular weight of 341.41 g/mol. Its IUPAC name is N-[(2-methoxyphenyl)methyl]-4-phenylphthalazin-1-amine.

Molecular Properties

Compound NameN-[(2-methoxyphenyl)methyl]-4-phenylphthalazin-1-amine
PubChem CID155567765
Molecular FormulaC22H19N3O
Molecular Weight341.41 g/mol
Exact Mass341.15
IUPAC NameN-[(2-methoxyphenyl)methyl]-4-phenylphthalazin-1-amine
SMILESCOc1ccccc1CNc1nnc(-c2ccccc2)c2ccccc12
InChIInChI=1S/C22H19N3O/c1-26-20-14-8-5-11-17(20)15-23-22-19-13-7-6-12-18(19)21(24-25-22)16-9-3-2-4-10-16/h2-14H,15H2,1H3,(H,23,25)
InChIKeyMNULTCRJUNUENU-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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Related Compounds

N-(4-methoxyphenyl)-4-methylphthalazin-1-amine
CID 3124064
1-(4-Ethoxyphenyl)-4-(piperidin-1-yl)phthalazine
CID 6401112
4-(4-ethoxyphenyl)-N-(4-methylphenyl)phthalazin-1-amine
CID 6407032
4-(4-((4-Methoxyphenyl)amino)phthalazin-1-yl)phenol
CID 1394168
4-(4-methoxyphenyl)-N-phenylphthalazin-1-amine
CID 5494639
4-[4-(4-Ethoxyphenyl)phthalazin-1-yl]morpholine
CID 6401111
US11702418, Example 7-2
CID 156527198
Cyclohexyl-[6-(2-methoxy-phenyl)-pyridazin-3-yl]-amine
CID 654107
4-(4-methoxyphenyl)-N-(4-methylphenyl)-1-phthalazinamine
CID 5494638
1-(4-Methoxyphenyl)-4-(morpholin-4-yl)phthalazine
CID 6401297
N-(3-methylphenyl)-4-[4-(prop-2-yn-1-yloxy)phenyl]phthalazin-1-amine
CID 6407333
4-(4-methoxyphenyl)-N-(3-methylphenyl)phthalazin-1-amine
CID 17129186

Frequently Asked Questions

What is the IUPAC name of N-[(2-methoxyphenyl)methyl]-4-phenylphthalazin-1-amine?
The IUPAC name of N-[(2-methoxyphenyl)methyl]-4-phenylphthalazin-1-amine (CID 155567765) is N-[(2-methoxyphenyl)methyl]-4-phenylphthalazin-1-amine.
What is the SMILES notation for N-[(2-methoxyphenyl)methyl]-4-phenylphthalazin-1-amine?
The canonical SMILES for N-[(2-methoxyphenyl)methyl]-4-phenylphthalazin-1-amine is COc1ccccc1CNc1nnc(-c2ccccc2)c2ccccc12.
What is the InChIKey of N-[(2-methoxyphenyl)methyl]-4-phenylphthalazin-1-amine?
The InChIKey is MNULTCRJUNUENU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19N3O/c1-26-20-14-8-5-11-17(20)15-23-22-19-13-7-6-12-18(19)21(24-25-22)16-9-3-2-4-10-16/h2-14H,15H2,1H3,(H,23,25).
What are the key properties of N-[(2-methoxyphenyl)methyl]-4-phenylphthalazin-1-amine?
N-[(2-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-[(2-methoxyphenyl)methyl]-4-phenylphthalazin-1-amine is sourced from PubChem (CID 155567765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).