N'-[4-(3,4-dimethylphenyl)phthalazin-1-yl]ethane-1,2-diamine

C18H20N4 — CID 82191456

IUPACN'-[4-(3,4-dimethylphenyl)phthalazin-1-yl]ethane-1,2-diamine
SMILESCc1ccc(-c2nnc(NCCN)c3ccccc23)cc1C
InChIInChI=1S/C18H20N4/c1-12-7-8-14(11-13(12)2)17-15-5-3-4-6-16(15)18(22-21-17)20-10-9-19/h3-8,11H,9-10,19H2,1-2H3,(H,20,22)
InChIKeyBZTQDGNYADJELP-UHFFFAOYSA-N
MW292.39 g/mol
LogP3.28
Rot. Bonds4

About N'-[4-(3,4-dimethylphenyl)phthalazin-1-yl]ethane-1,2-diamine

N'-[4-(3,4-dimethylphenyl)phthalazin-1-yl]ethane-1,2-diamine (PubChem CID 82191456) has the molecular formula C18H20N4 and a molecular weight of 292.39 g/mol. Its IUPAC name is N'-[4-(3,4-dimethylphenyl)phthalazin-1-yl]ethane-1,2-diamine.

Molecular Properties

Compound NameN'-[4-(3,4-dimethylphenyl)phthalazin-1-yl]ethane-1,2-diamine
PubChem CID82191456
Molecular FormulaC18H20N4
Molecular Weight292.39 g/mol
Exact Mass292.17
IUPAC NameN'-[4-(3,4-dimethylphenyl)phthalazin-1-yl]ethane-1,2-diamine
SMILESCc1ccc(-c2nnc(NCCN)c3ccccc23)cc1C
InChIInChI=1S/C18H20N4/c1-12-7-8-14(11-13(12)2)17-15-5-3-4-6-16(15)18(22-21-17)20-10-9-19/h3-8,11H,9-10,19H2,1-2H3,(H,20,22)
InChIKeyBZTQDGNYADJELP-UHFFFAOYSA-N
XLogP3.28
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.39
LogP ≤ 53.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N'-[4-(4-fluorophenyl)phthalazin-1-yl]ethane-1,2-diamine
CID 82191458
N-[4-(3,4-dimethylphenyl)phthalazin-1-yl]-N',N'-dimethylpropane-1,3-diamine;oxalic acid
CID 45042443
N'-[4-(2,5-dimethylphenyl)phthalazin-1-yl]propane-1,3-diamine
CID 82191602
N'-(4-thiophen-2-ylphthalazin-1-yl)ethane-1,2-diamine
CID 82191464
N-(2-methoxyethyl)-4-phenylphthalazin-1-amine
CID 6405351
3-[[4-(4-methylphenyl)phthalazin-1-yl]amino]propanoic acid
CID 82192890
N'-(4-methyl-6-phenylpyridazin-3-yl)ethane-1,2-diamine;dihydrochloride
CID 6410802
4-(5-methyl-3-pyridinyl)-N-propylphthalazin-1-amine
CID 115375506
4-(3-fluoro-4-methylphenyl)phthalazin-1-amine
CID 115502629
4-(3,4-dimethylphenyl)-N-[(2-phenylimidazo[1,2-a]pyridin-3-yl)methylideneamino]phthalazin-1-amine
CID 6815774
2-methyl-4-[4-(4-sulfamoylanilino)phthalazin-1-yl]benzenesulfonamide
CID 71607951
N'-(4-thiophen-2-ylphthalazin-1-yl)propane-1,3-diamine
CID 82191605

Frequently Asked Questions

What is the IUPAC name of N'-[4-(3,4-dimethylphenyl)phthalazin-1-yl]ethane-1,2-diamine?
The IUPAC name of N'-[4-(3,4-dimethylphenyl)phthalazin-1-yl]ethane-1,2-diamine (CID 82191456) is N'-[4-(3,4-dimethylphenyl)phthalazin-1-yl]ethane-1,2-diamine.
What is the SMILES notation for N'-[4-(3,4-dimethylphenyl)phthalazin-1-yl]ethane-1,2-diamine?
The canonical SMILES for N'-[4-(3,4-dimethylphenyl)phthalazin-1-yl]ethane-1,2-diamine is Cc1ccc(-c2nnc(NCCN)c3ccccc23)cc1C.
What is the InChIKey of N'-[4-(3,4-dimethylphenyl)phthalazin-1-yl]ethane-1,2-diamine?
The InChIKey is BZTQDGNYADJELP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4/c1-12-7-8-14(11-13(12)2)17-15-5-3-4-6-16(15)18(22-21-17)20-10-9-19/h3-8,11H,9-10,19H2,1-2H3,(H,20,22).
What are the key properties of N'-[4-(3,4-dimethylphenyl)phthalazin-1-yl]ethane-1,2-diamine?
N'-[4-(3,4-dimethylphenyl)phthalazin-1-yl]ethane-1,2-diamine has a molecular weight of 292.39 g/mol, XLogP of 3.28, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[4-(3,4-dimethylphenyl)phthalazin-1-yl]ethane-1,2-diamine is sourced from PubChem (CID 82191456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).