N-[2-(4-aminophenyl)ethyl]phthalazin-1-amine

C16H16N4 — CID 61220609

IUPACN-[2-(4-aminophenyl)ethyl]phthalazin-1-amine
SMILESNc1ccc(CCNc2nncc3ccccc23)cc1
InChIInChI=1S/C16H16N4/c17-14-7-5-12(6-8-14)9-10-18-16-15-4-2-1-3-13(15)11-19-20-16/h1-8,11H,9-10,17H2,(H,18,20)
InChIKeyNMSIIYRYDHIZLP-UHFFFAOYSA-N
MW264.33 g/mol
LogP2.87
Rot. Bonds4

About N-[2-(4-aminophenyl)ethyl]phthalazin-1-amine

N-[2-(4-aminophenyl)ethyl]phthalazin-1-amine (PubChem CID 61220609) has the molecular formula C16H16N4 and a molecular weight of 264.33 g/mol. Its IUPAC name is N-[2-(4-aminophenyl)ethyl]phthalazin-1-amine.

Molecular Properties

Compound NameN-[2-(4-aminophenyl)ethyl]phthalazin-1-amine
PubChem CID61220609
Molecular FormulaC16H16N4
Molecular Weight264.33 g/mol
Exact Mass264.14
IUPAC NameN-[2-(4-aminophenyl)ethyl]phthalazin-1-amine
SMILESNc1ccc(CCNc2nncc3ccccc23)cc1
InChIInChI=1S/C16H16N4/c17-14-7-5-12(6-8-14)9-10-18-16-15-4-2-1-3-13(15)11-19-20-16/h1-8,11H,9-10,17H2,(H,18,20)
InChIKeyNMSIIYRYDHIZLP-UHFFFAOYSA-N
XLogP2.87
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.33
LogP ≤ 52.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

1-(4-aminophenyl)-2-(phthalazin-1-ylamino)ethanol
CID 60876634
N-[2-(1,3-thiazol-2-yl)ethyl]phthalazin-1-amine
CID 63240436
N-[2-(2-aminoethoxy)ethyl]phthalazin-1-amine
CID 63767046
3-(phthalazin-1-ylamino)propanoic acid
CID 43419849
[4-[(phthalazin-1-ylamino)methyl]phenyl]methanol
CID 107232258
2-(phthalazin-1-ylamino)acetamide
CID 43395562
N-(2,2-difluoroethyl)phthalazin-1-amine
CID 115407622
N-(3-phenylbutyl)phthalazin-1-amine
CID 62986988
N-(cyclopropylmethyl)phthalazin-1-amine
CID 43419855
N-(7-methyloctyl)phthalazin-1-amine
CID 107816205
N-[3-(1H-1,2,4-triazol-5-yl)propyl]phthalazin-1-amine
CID 64532036
3-[2-(4-aminophenyl)ethylamino]pyridazine-4-carbonitrile
CID 80514883

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-aminophenyl)ethyl]phthalazin-1-amine?
The IUPAC name of N-[2-(4-aminophenyl)ethyl]phthalazin-1-amine (CID 61220609) is N-[2-(4-aminophenyl)ethyl]phthalazin-1-amine.
What is the SMILES notation for N-[2-(4-aminophenyl)ethyl]phthalazin-1-amine?
The canonical SMILES for N-[2-(4-aminophenyl)ethyl]phthalazin-1-amine is Nc1ccc(CCNc2nncc3ccccc23)cc1.
What is the InChIKey of N-[2-(4-aminophenyl)ethyl]phthalazin-1-amine?
The InChIKey is NMSIIYRYDHIZLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N4/c17-14-7-5-12(6-8-14)9-10-18-16-15-4-2-1-3-13(15)11-19-20-16/h1-8,11H,9-10,17H2,(H,18,20).
What are the key properties of N-[2-(4-aminophenyl)ethyl]phthalazin-1-amine?
N-[2-(4-aminophenyl)ethyl]phthalazin-1-amine has a molecular weight of 264.33 g/mol, XLogP of 2.87, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-aminophenyl)ethyl]phthalazin-1-amine is sourced from PubChem (CID 61220609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).