N-benzyl-4-(4-methylphenyl)phthalazin-1-amine

C22H19N3 — CID 6401678

IUPACN-benzyl-4-(4-methylphenyl)phthalazin-1-amine
SMILESCc1ccc(-c2nnc(NCc3ccccc3)c3ccccc23)cc1
InChIInChI=1S/C22H19N3/c1-16-11-13-18(14-12-16)21-19-9-5-6-10-20(19)22(25-24-21)23-15-17-7-3-2-4-8-17/h2-14H,15H2,1H3,(H,23,25)
InChIKeyBFHFUYCOHQVYNR-UHFFFAOYSA-N
MW325.42 g/mol
LogP5.22
Rot. Bonds4

About N-benzyl-4-(4-methylphenyl)phthalazin-1-amine

N-benzyl-4-(4-methylphenyl)phthalazin-1-amine (PubChem CID 6401678) has the molecular formula C22H19N3 and a molecular weight of 325.42 g/mol. Its IUPAC name is N-benzyl-4-(4-methylphenyl)phthalazin-1-amine.

Molecular Properties

Compound NameN-benzyl-4-(4-methylphenyl)phthalazin-1-amine
PubChem CID6401678
Molecular FormulaC22H19N3
Molecular Weight325.42 g/mol
Exact Mass325.16
IUPAC NameN-benzyl-4-(4-methylphenyl)phthalazin-1-amine
SMILESCc1ccc(-c2nnc(NCc3ccccc3)c3ccccc23)cc1
InChIInChI=1S/C22H19N3/c1-16-11-13-18(14-12-16)21-19-9-5-6-10-20(19)22(25-24-21)23-15-17-7-3-2-4-8-17/h2-14H,15H2,1H3,(H,23,25)
InChIKeyBFHFUYCOHQVYNR-UHFFFAOYSA-N
XLogP5.22
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500325.42
LogP ≤ 55.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-4-(4-methylphenyl)phthalazin-1-amine?
The IUPAC name of N-benzyl-4-(4-methylphenyl)phthalazin-1-amine (CID 6401678) is N-benzyl-4-(4-methylphenyl)phthalazin-1-amine.
What is the SMILES notation for N-benzyl-4-(4-methylphenyl)phthalazin-1-amine?
The canonical SMILES for N-benzyl-4-(4-methylphenyl)phthalazin-1-amine is Cc1ccc(-c2nnc(NCc3ccccc3)c3ccccc23)cc1.
What is the InChIKey of N-benzyl-4-(4-methylphenyl)phthalazin-1-amine?
The InChIKey is BFHFUYCOHQVYNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19N3/c1-16-11-13-18(14-12-16)21-19-9-5-6-10-20(19)22(25-24-21)23-15-17-7-3-2-4-8-17/h2-14H,15H2,1H3,(H,23,25).
What are the key properties of N-benzyl-4-(4-methylphenyl)phthalazin-1-amine?
N-benzyl-4-(4-methylphenyl)phthalazin-1-amine has a molecular weight of 325.42 g/mol, XLogP of 5.22, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-4-(4-methylphenyl)phthalazin-1-amine is sourced from PubChem (CID 6401678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).