N-benzyl-N-methyl-4-(2,4,6-trimethylphenyl)phthalazin-1-amine

C25H25N3 — CID 58326538

IUPACN-benzyl-N-methyl-4-(2,4,6-trimethylphenyl)phthalazin-1-amine
SMILESCc1cc(C)c(-c2nnc(N(C)Cc3ccccc3)c3ccccc23)c(C)c1
InChIInChI=1S/C25H25N3/c1-17-14-18(2)23(19(3)15-17)24-21-12-8-9-13-22(21)25(27-26-24)28(4)16-20-10-6-5-7-11-20/h5-15H,16H2,1-4H3
InChIKeyWSOOYZZLGWHRNW-UHFFFAOYSA-N
MW367.50 g/mol
LogP5.86
Rot. Bonds4

About N-benzyl-N-methyl-4-(2,4,6-trimethylphenyl)phthalazin-1-amine

N-benzyl-N-methyl-4-(2,4,6-trimethylphenyl)phthalazin-1-amine (PubChem CID 58326538) has the molecular formula C25H25N3 and a molecular weight of 367.50 g/mol. Its IUPAC name is N-benzyl-N-methyl-4-(2,4,6-trimethylphenyl)phthalazin-1-amine.

Molecular Properties

Compound NameN-benzyl-N-methyl-4-(2,4,6-trimethylphenyl)phthalazin-1-amine
PubChem CID58326538
Molecular FormulaC25H25N3
Molecular Weight367.50 g/mol
Exact Mass367.20
IUPAC NameN-benzyl-N-methyl-4-(2,4,6-trimethylphenyl)phthalazin-1-amine
SMILESCc1cc(C)c(-c2nnc(N(C)Cc3ccccc3)c3ccccc23)c(C)c1
InChIInChI=1S/C25H25N3/c1-17-14-18(2)23(19(3)15-17)24-21-12-8-9-13-22(21)25(27-26-24)28(4)16-20-10-6-5-7-11-20/h5-15H,16H2,1-4H3
InChIKeyWSOOYZZLGWHRNW-UHFFFAOYSA-N
XLogP5.86
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500367.50
LogP ≤ 55.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-methyl-N-(1-phenylethyl)-4-(2,4,6-trimethylphenyl)phthalazin-1-amine
CID 58326534
N-[(4-aminophenyl)methyl]-N,4-dimethylphthalazin-1-amine
CID 60875525
N-[(3-aminophenyl)methyl]-N,4-dimethylphthalazin-1-amine
CID 60877425
N-[(3-bromophenyl)methyl]-4-chloro-N-methylphthalazin-1-amine
CID 62141752
3-[4-(2,4,6-trimethylphenyl)phthalazin-1-yl]selanylpropan-1-ol
CID 122395570
N-benzyl-N,2,5-trimethylaniline
CID 15439716
N-benzyl-3-(chloromethyl)-N,4,6-trimethylpyridin-2-amine
CID 61255946
N-benzyl-N,3-dimethylpyrazin-2-amine;ethane
CID 145242073
2-[6-[benzyl(methyl)amino]-5-methyl-3-pyridinyl]ethanol
CID 102544765
6-[benzyl(methyl)amino]-5-methylpyridine-3-carbonitrile
CID 102544753
N-benzyl-N,4,6-trimethylpyrimidin-2-amine
CID 734467
1-phenyl-4-(2,4,6-trimethylphenoxy)phthalazine
CID 154056698

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-methyl-4-(2,4,6-trimethylphenyl)phthalazin-1-amine?
The IUPAC name of N-benzyl-N-methyl-4-(2,4,6-trimethylphenyl)phthalazin-1-amine (CID 58326538) is N-benzyl-N-methyl-4-(2,4,6-trimethylphenyl)phthalazin-1-amine.
What is the SMILES notation for N-benzyl-N-methyl-4-(2,4,6-trimethylphenyl)phthalazin-1-amine?
The canonical SMILES for N-benzyl-N-methyl-4-(2,4,6-trimethylphenyl)phthalazin-1-amine is Cc1cc(C)c(-c2nnc(N(C)Cc3ccccc3)c3ccccc23)c(C)c1.
What is the InChIKey of N-benzyl-N-methyl-4-(2,4,6-trimethylphenyl)phthalazin-1-amine?
The InChIKey is WSOOYZZLGWHRNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25N3/c1-17-14-18(2)23(19(3)15-17)24-21-12-8-9-13-22(21)25(27-26-24)28(4)16-20-10-6-5-7-11-20/h5-15H,16H2,1-4H3.
What are the key properties of N-benzyl-N-methyl-4-(2,4,6-trimethylphenyl)phthalazin-1-amine?
N-benzyl-N-methyl-4-(2,4,6-trimethylphenyl)phthalazin-1-amine has a molecular weight of 367.50 g/mol, XLogP of 5.86, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-methyl-4-(2,4,6-trimethylphenyl)phthalazin-1-amine is sourced from PubChem (CID 58326538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).