N-[(4-methoxyphenyl)methyl]-4-(4-propylphenyl)phthalazin-1-amine

C25H25N3O — CID 162720636

IUPACN-[(4-methoxyphenyl)methyl]-4-(4-propylphenyl)phthalazin-1-amine
SMILESCCCc1ccc(-c2nnc(NCc3ccc(OC)cc3)c3ccccc23)cc1
InChIInChI=1S/C25H25N3O/c1-3-6-18-9-13-20(14-10-18)24-22-7-4-5-8-23(22)25(28-27-24)26-17-19-11-15-21(29-2)16-12-19/h4-5,7-16H,3,6,17H2,1-2H3,(H,26,28)
InChIKeyAXROXMBNOFENIT-UHFFFAOYSA-N
MW383.50 g/mol
LogP5.87
Rot. Bonds7

About N-[(4-methoxyphenyl)methyl]-4-(4-propylphenyl)phthalazin-1-amine

N-[(4-methoxyphenyl)methyl]-4-(4-propylphenyl)phthalazin-1-amine (PubChem CID 162720636) has the molecular formula C25H25N3O and a molecular weight of 383.50 g/mol. Its IUPAC name is N-[(4-methoxyphenyl)methyl]-4-(4-propylphenyl)phthalazin-1-amine.

Molecular Properties

Compound NameN-[(4-methoxyphenyl)methyl]-4-(4-propylphenyl)phthalazin-1-amine
PubChem CID162720636
Molecular FormulaC25H25N3O
Molecular Weight383.50 g/mol
Exact Mass383.20
IUPAC NameN-[(4-methoxyphenyl)methyl]-4-(4-propylphenyl)phthalazin-1-amine
SMILESCCCc1ccc(-c2nnc(NCc3ccc(OC)cc3)c3ccccc23)cc1
InChIInChI=1S/C25H25N3O/c1-3-6-18-9-13-20(14-10-18)24-22-7-4-5-8-23(22)25(28-27-24)26-17-19-11-15-21(29-2)16-12-19/h4-5,7-16H,3,6,17H2,1-2H3,(H,26,28)
InChIKeyAXROXMBNOFENIT-UHFFFAOYSA-N
XLogP5.87
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500383.50
LogP ≤ 55.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[(4-methoxyphenyl)methyl]-4-(4-propylphenyl)phthalazin-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-(4-methoxyphenyl)-N-[(5-methylfuran-2-yl)methyl]phthalazin-1-amine
CID 51362150
[2-[[[4-(4-methoxyphenyl)phthalazin-1-yl]amino]methyl]-1,3-thiazol-4-yl]methanol
CID 133487804
3-(4-methoxyphenyl)-6-(4-propylphenyl)pyridazine
CID 14669906
2-[[4-(4-methoxyphenyl)phthalazin-1-yl]amino]phenol
CID 135426072
N-[(3-chloro-4-methoxyphenyl)methyl]-7-isocyano-4-(4-methoxyphenyl)phthalazin-1-amine;hydrochloride
CID 157476890
1-[(4-methoxyphenyl)methyl]-4-phenylphthalazine
CID 66731672
N-benzyl-2-(4-methoxyphenyl)quinazolin-4-amine
CID 949742
ethane;1-methoxy-4-propylbenzene
CID 142085762
N-(2-methoxyethyl)-4-phenylphthalazin-1-amine
CID 6405351
4-phenyl-N-(pyridin-3-ylmethyl)phthalazin-1-amine
CID 6407566
4-chloro-N-[(4-methoxyphenyl)methyl]-6-methylphthalazin-1-amine
CID 87569694
1-methoxy-4-[(4-propylphenyl)methyl]benzene
CID 67608407

Frequently Asked Questions

What is the IUPAC name of N-[(4-methoxyphenyl)methyl]-4-(4-propylphenyl)phthalazin-1-amine?
The IUPAC name of N-[(4-methoxyphenyl)methyl]-4-(4-propylphenyl)phthalazin-1-amine (CID 162720636) is N-[(4-methoxyphenyl)methyl]-4-(4-propylphenyl)phthalazin-1-amine.
What is the SMILES notation for N-[(4-methoxyphenyl)methyl]-4-(4-propylphenyl)phthalazin-1-amine?
The canonical SMILES for N-[(4-methoxyphenyl)methyl]-4-(4-propylphenyl)phthalazin-1-amine is CCCc1ccc(-c2nnc(NCc3ccc(OC)cc3)c3ccccc23)cc1.
What is the InChIKey of N-[(4-methoxyphenyl)methyl]-4-(4-propylphenyl)phthalazin-1-amine?
The InChIKey is AXROXMBNOFENIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25N3O/c1-3-6-18-9-13-20(14-10-18)24-22-7-4-5-8-23(22)25(28-27-24)26-17-19-11-15-21(29-2)16-12-19/h4-5,7-16H,3,6,17H2,1-2H3,(H,26,28).
What are the key properties of N-[(4-methoxyphenyl)methyl]-4-(4-propylphenyl)phthalazin-1-amine?
N-[(4-methoxyphenyl)methyl]-4-(4-propylphenyl)phthalazin-1-amine has a molecular weight of 383.50 g/mol, XLogP of 5.87, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methoxyphenyl)methyl]-4-(4-propylphenyl)phthalazin-1-amine is sourced from PubChem (CID 162720636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).