N-(3-methylphenyl)-4-phenylphthalazin-1-amine

C21H17N3 — CID 12797778

IUPACN-(3-methylphenyl)-4-phenylphthalazin-1-amine
SMILESCc1cccc(Nc2nnc(-c3ccccc3)c3ccccc23)c1
InChIInChI=1S/C21H17N3/c1-15-8-7-11-17(14-15)22-21-19-13-6-5-12-18(19)20(23-24-21)16-9-3-2-4-10-16/h2-14H,1H3,(H,22,24)
InChIKeyBBMRDCBMRNUOKY-UHFFFAOYSA-N
MW311.39 g/mol
LogP5.35
Rot. Bonds3

About N-(3-methylphenyl)-4-phenylphthalazin-1-amine

N-(3-methylphenyl)-4-phenylphthalazin-1-amine (PubChem CID 12797778) has the molecular formula C21H17N3 and a molecular weight of 311.39 g/mol. Its IUPAC name is N-(3-methylphenyl)-4-phenylphthalazin-1-amine.

Molecular Properties

Compound NameN-(3-methylphenyl)-4-phenylphthalazin-1-amine
PubChem CID12797778
Molecular FormulaC21H17N3
Molecular Weight311.39 g/mol
Exact Mass311.14
IUPAC NameN-(3-methylphenyl)-4-phenylphthalazin-1-amine
SMILESCc1cccc(Nc2nnc(-c3ccccc3)c3ccccc23)c1
InChIInChI=1S/C21H17N3/c1-15-8-7-11-17(14-15)22-21-19-13-6-5-12-18(19)20(23-24-21)16-9-3-2-4-10-16/h2-14H,1H3,(H,22,24)
InChIKeyBBMRDCBMRNUOKY-UHFFFAOYSA-N
XLogP5.35
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500311.39
LogP ≤ 55.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(3-methylphenyl)-4-phenylphthalazin-1-amine?
The IUPAC name of N-(3-methylphenyl)-4-phenylphthalazin-1-amine (CID 12797778) is N-(3-methylphenyl)-4-phenylphthalazin-1-amine.
What is the SMILES notation for N-(3-methylphenyl)-4-phenylphthalazin-1-amine?
The canonical SMILES for N-(3-methylphenyl)-4-phenylphthalazin-1-amine is Cc1cccc(Nc2nnc(-c3ccccc3)c3ccccc23)c1.
What is the InChIKey of N-(3-methylphenyl)-4-phenylphthalazin-1-amine?
The InChIKey is BBMRDCBMRNUOKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17N3/c1-15-8-7-11-17(14-15)22-21-19-13-6-5-12-18(19)20(23-24-21)16-9-3-2-4-10-16/h2-14H,1H3,(H,22,24).
What are the key properties of N-(3-methylphenyl)-4-phenylphthalazin-1-amine?
N-(3-methylphenyl)-4-phenylphthalazin-1-amine has a molecular weight of 311.39 g/mol, XLogP of 5.35, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methylphenyl)-4-phenylphthalazin-1-amine is sourced from PubChem (CID 12797778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).