4-[4-(2-methylpropoxy)phenyl]phthalazin-1-amine

C18H19N3O — CID 82192731

IUPAC4-[4-(2-methylpropoxy)phenyl]phthalazin-1-amine
SMILESCC(C)COc1ccc(-c2nnc(N)c3ccccc23)cc1
InChIInChI=1S/C18H19N3O/c1-12(2)11-22-14-9-7-13(8-10-14)17-15-5-3-4-6-16(15)18(19)21-20-17/h3-10,12H,11H2,1-2H3,(H2,19,21)
InChIKeyJTKAFLPTYDHWGJ-UHFFFAOYSA-N
MW293.37 g/mol
LogP3.91
Rot. Bonds4

About 4-[4-(2-methylpropoxy)phenyl]phthalazin-1-amine

4-[4-(2-methylpropoxy)phenyl]phthalazin-1-amine (PubChem CID 82192731) has the molecular formula C18H19N3O and a molecular weight of 293.37 g/mol. Its IUPAC name is 4-[4-(2-methylpropoxy)phenyl]phthalazin-1-amine.

Molecular Properties

Compound Name4-[4-(2-methylpropoxy)phenyl]phthalazin-1-amine
PubChem CID82192731
Molecular FormulaC18H19N3O
Molecular Weight293.37 g/mol
Exact Mass293.15
IUPAC Name4-[4-(2-methylpropoxy)phenyl]phthalazin-1-amine
SMILESCC(C)COc1ccc(-c2nnc(N)c3ccccc23)cc1
InChIInChI=1S/C18H19N3O/c1-12(2)11-22-14-9-7-13(8-10-14)17-15-5-3-4-6-16(15)18(19)21-20-17/h3-10,12H,11H2,1-2H3,(H2,19,21)
InChIKeyJTKAFLPTYDHWGJ-UHFFFAOYSA-N
XLogP3.91
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.37
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[4-(2-methylpropoxy)phenyl]phthalazin-1-amine?
The IUPAC name of 4-[4-(2-methylpropoxy)phenyl]phthalazin-1-amine (CID 82192731) is 4-[4-(2-methylpropoxy)phenyl]phthalazin-1-amine.
What is the SMILES notation for 4-[4-(2-methylpropoxy)phenyl]phthalazin-1-amine?
The canonical SMILES for 4-[4-(2-methylpropoxy)phenyl]phthalazin-1-amine is CC(C)COc1ccc(-c2nnc(N)c3ccccc23)cc1.
What is the InChIKey of 4-[4-(2-methylpropoxy)phenyl]phthalazin-1-amine?
The InChIKey is JTKAFLPTYDHWGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O/c1-12(2)11-22-14-9-7-13(8-10-14)17-15-5-3-4-6-16(15)18(19)21-20-17/h3-10,12H,11H2,1-2H3,(H2,19,21).
What are the key properties of 4-[4-(2-methylpropoxy)phenyl]phthalazin-1-amine?
4-[4-(2-methylpropoxy)phenyl]phthalazin-1-amine has a molecular weight of 293.37 g/mol, XLogP of 3.91, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(2-methylpropoxy)phenyl]phthalazin-1-amine is sourced from PubChem (CID 82192731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).