N-(4-phenoxyphenyl)phthalazin-1-amine

C20H15N3O — CID 44531040

IUPACN-(4-phenoxyphenyl)phthalazin-1-amine
SMILESc1ccc(Oc2ccc(Nc3nncc4ccccc34)cc2)cc1
InChIInChI=1S/C20H15N3O/c1-2-7-17(8-3-1)24-18-12-10-16(11-13-18)22-20-19-9-5-4-6-15(19)14-21-23-20/h1-14H,(H,22,23)
InChIKeyMHMYWBIWIWOTRQ-UHFFFAOYSA-N
MW313.36 g/mol
LogP5.17
Rot. Bonds4

About N-(4-phenoxyphenyl)phthalazin-1-amine

N-(4-phenoxyphenyl)phthalazin-1-amine (PubChem CID 44531040) has the molecular formula C20H15N3O and a molecular weight of 313.36 g/mol. Its IUPAC name is N-(4-phenoxyphenyl)phthalazin-1-amine.

Molecular Properties

Compound NameN-(4-phenoxyphenyl)phthalazin-1-amine
PubChem CID44531040
Molecular FormulaC20H15N3O
Molecular Weight313.36 g/mol
Exact Mass313.12
IUPAC NameN-(4-phenoxyphenyl)phthalazin-1-amine
SMILESc1ccc(Oc2ccc(Nc3nncc4ccccc34)cc2)cc1
InChIInChI=1S/C20H15N3O/c1-2-7-17(8-3-1)24-18-12-10-16(11-13-18)22-20-19-9-5-4-6-15(19)14-21-23-20/h1-14H,(H,22,23)
InChIKeyMHMYWBIWIWOTRQ-UHFFFAOYSA-N
XLogP5.17
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500313.36
LogP ≤ 55.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(4-phenoxyphenyl)phthalazin-1-amine?
The IUPAC name of N-(4-phenoxyphenyl)phthalazin-1-amine (CID 44531040) is N-(4-phenoxyphenyl)phthalazin-1-amine.
What is the SMILES notation for N-(4-phenoxyphenyl)phthalazin-1-amine?
The canonical SMILES for N-(4-phenoxyphenyl)phthalazin-1-amine is c1ccc(Oc2ccc(Nc3nncc4ccccc34)cc2)cc1.
What is the InChIKey of N-(4-phenoxyphenyl)phthalazin-1-amine?
The InChIKey is MHMYWBIWIWOTRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15N3O/c1-2-7-17(8-3-1)24-18-12-10-16(11-13-18)22-20-19-9-5-4-6-15(19)14-21-23-20/h1-14H,(H,22,23).
What are the key properties of N-(4-phenoxyphenyl)phthalazin-1-amine?
N-(4-phenoxyphenyl)phthalazin-1-amine has a molecular weight of 313.36 g/mol, XLogP of 5.17, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-phenoxyphenyl)phthalazin-1-amine is sourced from PubChem (CID 44531040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).