4-[4-(methoxymethyl)phenyl]-N-(3-propan-2-ylphenyl)phthalazin-1-amine

C25H25N3O — CID 123307293

IUPAC4-[4-(methoxymethyl)phenyl]-N-(3-propan-2-ylphenyl)phthalazin-1-amine
SMILESCOCc1ccc(-c2nnc(Nc3cccc(C(C)C)c3)c3ccccc23)cc1
InChIInChI=1S/C25H25N3O/c1-17(2)20-7-6-8-21(15-20)26-25-23-10-5-4-9-22(23)24(27-28-25)19-13-11-18(12-14-19)16-29-3/h4-15,17H,16H2,1-3H3,(H,26,28)
InChIKeyIVNAVYAWDYBOGS-UHFFFAOYSA-N
MW383.50 g/mol
LogP6.31
Rot. Bonds6

About 4-[4-(methoxymethyl)phenyl]-N-(3-propan-2-ylphenyl)phthalazin-1-amine

4-[4-(methoxymethyl)phenyl]-N-(3-propan-2-ylphenyl)phthalazin-1-amine (PubChem CID 123307293) has the molecular formula C25H25N3O and a molecular weight of 383.50 g/mol. Its IUPAC name is 4-[4-(methoxymethyl)phenyl]-N-(3-propan-2-ylphenyl)phthalazin-1-amine.

Molecular Properties

Compound Name4-[4-(methoxymethyl)phenyl]-N-(3-propan-2-ylphenyl)phthalazin-1-amine
PubChem CID123307293
Molecular FormulaC25H25N3O
Molecular Weight383.50 g/mol
Exact Mass383.20
IUPAC Name4-[4-(methoxymethyl)phenyl]-N-(3-propan-2-ylphenyl)phthalazin-1-amine
SMILESCOCc1ccc(-c2nnc(Nc3cccc(C(C)C)c3)c3ccccc23)cc1
InChIInChI=1S/C25H25N3O/c1-17(2)20-7-6-8-21(15-20)26-25-23-10-5-4-9-22(23)24(27-28-25)19-13-11-18(12-14-19)16-29-3/h4-15,17H,16H2,1-3H3,(H,26,28)
InChIKeyIVNAVYAWDYBOGS-UHFFFAOYSA-N
XLogP6.31
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500383.50
LogP ≤ 56.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 4-[4-(3-methylanilino)phthalazin-1-yl]benzoate;methyl 4-[4-(4-methylanilino)phthalazin-1-yl]benzoate
CID 162135819
[4-(4-propan-2-ylphenyl)phthalazin-1-yl]hydrazine
CID 14902232
3-[(4-phenylphthalazin-1-yl)amino]benzenesulfonamide
CID 71607913
N-(4-propan-2-ylphenyl)-4-(4-pyrazol-1-ylphenyl)phthalazin-1-amine
CID 15946075
4-(4-methylphenyl)-N-[4-[4-[[4-(4-methylphenyl)phthalazin-1-yl]amino]phenoxy]phenyl]phthalazin-1-amine
CID 3657451
N-(4-chlorophenyl)-4-(4-methylphenyl)phthalazin-1-amine
CID 1386625
4-(4-methoxyphenyl)-N-(1-methylbenzimidazol-5-yl)phthalazin-1-amine
CID 1417554
N-[4-[(7-methoxyquinolin-4-yl)methyl]phenyl]-4-phenylphthalazin-1-amine
CID 59427352
N-(2-methoxyethyl)-4-phenylphthalazin-1-amine
CID 6405351
N-(1,2-dihydroxypropan-2-yl)-5-[4-(3-hydroxyanilino)phthalazin-1-yl]-2-methylbenzenesulfonamide;methane
CID 159364440
6-hydrazinyl-N-[3-(methoxymethyl)phenyl]-5-propan-2-ylpyrimidin-4-amine
CID 80901261
2-[[4-(4-methoxyphenyl)phthalazin-1-yl]amino]phenol
CID 135426072

Frequently Asked Questions

What is the IUPAC name of 4-[4-(methoxymethyl)phenyl]-N-(3-propan-2-ylphenyl)phthalazin-1-amine?
The IUPAC name of 4-[4-(methoxymethyl)phenyl]-N-(3-propan-2-ylphenyl)phthalazin-1-amine (CID 123307293) is 4-[4-(methoxymethyl)phenyl]-N-(3-propan-2-ylphenyl)phthalazin-1-amine.
What is the SMILES notation for 4-[4-(methoxymethyl)phenyl]-N-(3-propan-2-ylphenyl)phthalazin-1-amine?
The canonical SMILES for 4-[4-(methoxymethyl)phenyl]-N-(3-propan-2-ylphenyl)phthalazin-1-amine is COCc1ccc(-c2nnc(Nc3cccc(C(C)C)c3)c3ccccc23)cc1.
What is the InChIKey of 4-[4-(methoxymethyl)phenyl]-N-(3-propan-2-ylphenyl)phthalazin-1-amine?
The InChIKey is IVNAVYAWDYBOGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25N3O/c1-17(2)20-7-6-8-21(15-20)26-25-23-10-5-4-9-22(23)24(27-28-25)19-13-11-18(12-14-19)16-29-3/h4-15,17H,16H2,1-3H3,(H,26,28).
What are the key properties of 4-[4-(methoxymethyl)phenyl]-N-(3-propan-2-ylphenyl)phthalazin-1-amine?
4-[4-(methoxymethyl)phenyl]-N-(3-propan-2-ylphenyl)phthalazin-1-amine has a molecular weight of 383.50 g/mol, XLogP of 6.31, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(methoxymethyl)phenyl]-N-(3-propan-2-ylphenyl)phthalazin-1-amine is sourced from PubChem (CID 123307293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).