1-(4-aminophenyl)-2-(phthalazin-1-ylamino)ethanol

C16H16N4O — CID 60876634

IUPAC1-(4-aminophenyl)-2-(phthalazin-1-ylamino)ethanol
SMILESNc1ccc(C(O)CNc2nncc3ccccc23)cc1
InChIInChI=1S/C16H16N4O/c17-13-7-5-11(6-8-13)15(21)10-18-16-14-4-2-1-3-12(14)9-19-20-16/h1-9,15,21H,10,17H2,(H,18,20)
InChIKeyXUTNXIOKQMJTNM-UHFFFAOYSA-N
MW280.33 g/mol
LogP2.36
Rot. Bonds4

About 1-(4-aminophenyl)-2-(phthalazin-1-ylamino)ethanol

1-(4-aminophenyl)-2-(phthalazin-1-ylamino)ethanol (PubChem CID 60876634) has the molecular formula C16H16N4O and a molecular weight of 280.33 g/mol. Its IUPAC name is 1-(4-aminophenyl)-2-(phthalazin-1-ylamino)ethanol.

Molecular Properties

Compound Name1-(4-aminophenyl)-2-(phthalazin-1-ylamino)ethanol
PubChem CID60876634
Molecular FormulaC16H16N4O
Molecular Weight280.33 g/mol
Exact Mass280.13
IUPAC Name1-(4-aminophenyl)-2-(phthalazin-1-ylamino)ethanol
SMILESNc1ccc(C(O)CNc2nncc3ccccc23)cc1
InChIInChI=1S/C16H16N4O/c17-13-7-5-11(6-8-13)15(21)10-18-16-14-4-2-1-3-12(14)9-19-20-16/h1-9,15,21H,10,17H2,(H,18,20)
InChIKeyXUTNXIOKQMJTNM-UHFFFAOYSA-N
XLogP2.36
TPSA84.06 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.33
LogP ≤ 52.36
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

1-(4-aminophenyl)-2-(cinnolin-4-ylamino)ethanol
CID 63586762
N-[2-(4-aminophenyl)ethyl]phthalazin-1-amine
CID 61220609
N-(2,2-difluoroethyl)phthalazin-1-amine
CID 115407622
1-(4-aminophenyl)-2-(quinazolin-4-ylamino)ethanol
CID 60894016
3-(phthalazin-1-ylamino)propanoic acid
CID 43419849
2-(phthalazin-1-ylamino)acetamide
CID 43395562
2-(phthalazin-1-ylamino)ethanol
CID 2065587
4,4-dimethyl-1-N-phthalazin-1-ylpentane-1,2-diamine
CID 107159159
N-(2-methyl-3-methylsulfanylpropyl)phthalazin-1-amine
CID 63966800
N-(3-phenylbutyl)phthalazin-1-amine
CID 62986988
N-(cyclopropylmethyl)phthalazin-1-amine
CID 43419855
[4-[(phthalazin-1-ylamino)methyl]phenyl]methanol
CID 107232258

Frequently Asked Questions

What is the IUPAC name of 1-(4-aminophenyl)-2-(phthalazin-1-ylamino)ethanol?
The IUPAC name of 1-(4-aminophenyl)-2-(phthalazin-1-ylamino)ethanol (CID 60876634) is 1-(4-aminophenyl)-2-(phthalazin-1-ylamino)ethanol.
What is the SMILES notation for 1-(4-aminophenyl)-2-(phthalazin-1-ylamino)ethanol?
The canonical SMILES for 1-(4-aminophenyl)-2-(phthalazin-1-ylamino)ethanol is Nc1ccc(C(O)CNc2nncc3ccccc23)cc1.
What is the InChIKey of 1-(4-aminophenyl)-2-(phthalazin-1-ylamino)ethanol?
The InChIKey is XUTNXIOKQMJTNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N4O/c17-13-7-5-11(6-8-13)15(21)10-18-16-14-4-2-1-3-12(14)9-19-20-16/h1-9,15,21H,10,17H2,(H,18,20).
What are the key properties of 1-(4-aminophenyl)-2-(phthalazin-1-ylamino)ethanol?
1-(4-aminophenyl)-2-(phthalazin-1-ylamino)ethanol has a molecular weight of 280.33 g/mol, XLogP of 2.36, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-aminophenyl)-2-(phthalazin-1-ylamino)ethanol is sourced from PubChem (CID 60876634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).