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

C16H15FN4 — CID 82191458

IUPACN'-[4-(4-fluorophenyl)phthalazin-1-yl]ethane-1,2-diamine
SMILESNCCNc1nnc(-c2ccc(F)cc2)c2ccccc12
InChIInChI=1S/C16H15FN4/c17-12-7-5-11(6-8-12)15-13-3-1-2-4-14(13)16(21-20-15)19-10-9-18/h1-8H,9-10,18H2,(H,19,21)
InChIKeyZLEGLIUVVIRRCF-UHFFFAOYSA-N
MW282.32 g/mol
LogP2.81
Rot. Bonds4

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

N'-[4-(4-fluorophenyl)phthalazin-1-yl]ethane-1,2-diamine (PubChem CID 82191458) has the molecular formula C16H15FN4 and a molecular weight of 282.32 g/mol. Its IUPAC name is N'-[4-(4-fluorophenyl)phthalazin-1-yl]ethane-1,2-diamine.

Molecular Properties

Compound NameN'-[4-(4-fluorophenyl)phthalazin-1-yl]ethane-1,2-diamine
PubChem CID82191458
Molecular FormulaC16H15FN4
Molecular Weight282.32 g/mol
Exact Mass282.13
IUPAC NameN'-[4-(4-fluorophenyl)phthalazin-1-yl]ethane-1,2-diamine
SMILESNCCNc1nnc(-c2ccc(F)cc2)c2ccccc12
InChIInChI=1S/C16H15FN4/c17-12-7-5-11(6-8-12)15-13-3-1-2-4-14(13)16(21-20-15)19-10-9-18/h1-8H,9-10,18H2,(H,19,21)
InChIKeyZLEGLIUVVIRRCF-UHFFFAOYSA-N
XLogP2.81
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.32
LogP ≤ 52.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N'-[4-(3,4-dimethylphenyl)phthalazin-1-yl]ethane-1,2-diamine
CID 82191456
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
4-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-(3-methoxypropyl)phthalazin-1-amine
CID 53182486
N-(2-morpholin-4-ylethyl)-4-phenylphthalazin-1-amine
CID 6416457
N-benzyl-N'-[6-(4-fluorophenyl)-4,5-dimethylpyridazin-3-yl]ethane-1,2-diamine
CID 67320023
N'-(4-thiophen-2-ylphthalazin-1-yl)propane-1,3-diamine
CID 82191605
N-(3-imidazol-1-ylpropyl)-4-phenylphthalazin-1-amine
CID 11438900
1,4-bis(4-fluorophenyl)benzo[g]phthalazine
CID 71420428
4-[[(4-phenylphthalazin-1-yl)amino]methyl]-2H-phthalazin-1-one
CID 23820068
N'-[4-(2,5-dimethylphenyl)phthalazin-1-yl]propane-1,3-diamine
CID 82191602

Frequently Asked Questions

What is the IUPAC name of N'-[4-(4-fluorophenyl)phthalazin-1-yl]ethane-1,2-diamine?
The IUPAC name of N'-[4-(4-fluorophenyl)phthalazin-1-yl]ethane-1,2-diamine (CID 82191458) is N'-[4-(4-fluorophenyl)phthalazin-1-yl]ethane-1,2-diamine.
What is the SMILES notation for N'-[4-(4-fluorophenyl)phthalazin-1-yl]ethane-1,2-diamine?
The canonical SMILES for N'-[4-(4-fluorophenyl)phthalazin-1-yl]ethane-1,2-diamine is NCCNc1nnc(-c2ccc(F)cc2)c2ccccc12.
What is the InChIKey of N'-[4-(4-fluorophenyl)phthalazin-1-yl]ethane-1,2-diamine?
The InChIKey is ZLEGLIUVVIRRCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15FN4/c17-12-7-5-11(6-8-12)15-13-3-1-2-4-14(13)16(21-20-15)19-10-9-18/h1-8H,9-10,18H2,(H,19,21).
What are the key properties of N'-[4-(4-fluorophenyl)phthalazin-1-yl]ethane-1,2-diamine?
N'-[4-(4-fluorophenyl)phthalazin-1-yl]ethane-1,2-diamine has a molecular weight of 282.32 g/mol, XLogP of 2.81, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[4-(4-fluorophenyl)phthalazin-1-yl]ethane-1,2-diamine is sourced from PubChem (CID 82191458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).