2-[(4-phenylphthalazin-1-yl)amino]butan-1-ol

C18H19N3O — CID 6418606

IUPAC2-[(4-phenylphthalazin-1-yl)amino]butan-1-ol
SMILESCCC(CO)Nc1nnc(-c2ccccc2)c2ccccc12
InChIInChI=1S/C18H19N3O/c1-2-14(12-22)19-18-16-11-7-6-10-15(16)17(20-21-18)13-8-4-3-5-9-13/h3-11,14,22H,2,12H2,1H3,(H,19,21)
InChIKeyZSZYNPZYPSNALP-UHFFFAOYSA-N
MW293.37 g/mol
LogP3.48
Rot. Bonds5

About 2-[(4-phenylphthalazin-1-yl)amino]butan-1-ol

2-[(4-phenylphthalazin-1-yl)amino]butan-1-ol (PubChem CID 6418606) has the molecular formula C18H19N3O and a molecular weight of 293.37 g/mol. Its IUPAC name is 2-[(4-phenylphthalazin-1-yl)amino]butan-1-ol.

Molecular Properties

Compound Name2-[(4-phenylphthalazin-1-yl)amino]butan-1-ol
PubChem CID6418606
Molecular FormulaC18H19N3O
Molecular Weight293.37 g/mol
Exact Mass293.15
IUPAC Name2-[(4-phenylphthalazin-1-yl)amino]butan-1-ol
SMILESCCC(CO)Nc1nnc(-c2ccccc2)c2ccccc12
InChIInChI=1S/C18H19N3O/c1-2-14(12-22)19-18-16-11-7-6-10-15(16)17(20-21-18)13-8-4-3-5-9-13/h3-11,14,22H,2,12H2,1H3,(H,19,21)
InChIKeyZSZYNPZYPSNALP-UHFFFAOYSA-N
XLogP3.48
TPSA58.04 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.37
LogP ≤ 53.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(4-methylphthalazin-1-yl)amino]propane-1,3-diol
CID 65314332
N-(1-cyclohexylethyl)-4-phenylphthalazin-1-amine
CID 15295313
2-N-(4-methylphthalazin-1-yl)butane-1,2-diamine
CID 63765675
(2S)-2-[(6-phenylthieno[2,3-d]pyrimidin-4-yl)amino]butan-1-ol
CID 28849500
N-(2-methoxyethyl)-4-phenylphthalazin-1-amine
CID 6405351
2-[[3-(hydroxymethyl)-2-pyridinyl]amino]butan-1-ol
CID 82341853
4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-N-pentan-3-ylphthalazin-1-amine
CID 53182399
(2S)-2-[(5-phenyl-2H-triazol-4-yl)methylamino]butan-1-ol
CID 98571652
(2S)-2-[(2-ethyl-5-phenyltriazol-4-yl)methylamino]butan-1-ol
CID 51684343
(2R)-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)methylamino]butan-1-ol
CID 94160198
2-[(8-bromoquinazolin-4-yl)amino]butan-1-ol
CID 110431564
(2S)-2-[(3-iodo-2-pyridinyl)amino]butan-1-ol
CID 130736106

Frequently Asked Questions

What is the IUPAC name of 2-[(4-phenylphthalazin-1-yl)amino]butan-1-ol?
The IUPAC name of 2-[(4-phenylphthalazin-1-yl)amino]butan-1-ol (CID 6418606) is 2-[(4-phenylphthalazin-1-yl)amino]butan-1-ol.
What is the SMILES notation for 2-[(4-phenylphthalazin-1-yl)amino]butan-1-ol?
The canonical SMILES for 2-[(4-phenylphthalazin-1-yl)amino]butan-1-ol is CCC(CO)Nc1nnc(-c2ccccc2)c2ccccc12.
What is the InChIKey of 2-[(4-phenylphthalazin-1-yl)amino]butan-1-ol?
The InChIKey is ZSZYNPZYPSNALP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O/c1-2-14(12-22)19-18-16-11-7-6-10-15(16)17(20-21-18)13-8-4-3-5-9-13/h3-11,14,22H,2,12H2,1H3,(H,19,21).
What are the key properties of 2-[(4-phenylphthalazin-1-yl)amino]butan-1-ol?
2-[(4-phenylphthalazin-1-yl)amino]butan-1-ol has a molecular weight of 293.37 g/mol, XLogP of 3.48, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-phenylphthalazin-1-yl)amino]butan-1-ol is sourced from PubChem (CID 6418606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).