4-(2-propoxyphenyl)phthalazin-1-amine

C17H17N3O — CID 104663111

IUPAC4-(2-propoxyphenyl)phthalazin-1-amine
SMILESCCCOc1ccccc1-c1nnc(N)c2ccccc12
InChIInChI=1S/C17H17N3O/c1-2-11-21-15-10-6-5-9-14(15)16-12-7-3-4-8-13(12)17(18)20-19-16/h3-10H,2,11H2,1H3,(H2,18,20)
InChIKeyDDPYNNJOYYDTES-UHFFFAOYSA-N
MW279.34 g/mol
LogP3.67
Rot. Bonds4

About 4-(2-propoxyphenyl)phthalazin-1-amine

4-(2-propoxyphenyl)phthalazin-1-amine (PubChem CID 104663111) has the molecular formula C17H17N3O and a molecular weight of 279.34 g/mol. Its IUPAC name is 4-(2-propoxyphenyl)phthalazin-1-amine.

Molecular Properties

Compound Name4-(2-propoxyphenyl)phthalazin-1-amine
PubChem CID104663111
Molecular FormulaC17H17N3O
Molecular Weight279.34 g/mol
Exact Mass279.14
IUPAC Name4-(2-propoxyphenyl)phthalazin-1-amine
SMILESCCCOc1ccccc1-c1nnc(N)c2ccccc12
InChIInChI=1S/C17H17N3O/c1-2-11-21-15-10-6-5-9-14(15)16-12-7-3-4-8-13(12)17(18)20-19-16/h3-10H,2,11H2,1H3,(H2,18,20)
InChIKeyDDPYNNJOYYDTES-UHFFFAOYSA-N
XLogP3.67
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(2-propoxyphenyl)-2H-phthalazine-1-thione
CID 106521565
4-(2-propoxyphenyl)-1H-pyrazolo[3,4-d]pyrimidin-6-amine
CID 104663115
5-nitro-6-(2-propoxyphenyl)pyridin-2-amine
CID 104663163
2-amino-4-methyl-6-(2-propoxyphenyl)pyrimidine-5-carboxylic acid
CID 54851462
3-(2-propoxyphenyl)-1H-pyrazine-2-thione
CID 106521586
2-[3-(2-propoxyphenyl)-1H-pyrazol-5-yl]aniline
CID 54852189
N,5,6-trimethyl-3-(2-propoxyphenyl)pyrazin-2-amine
CID 104663142
3-(2-propoxyphenyl)-N-propylpyrazin-2-amine
CID 104663160
2-amino-N,N,4-trimethyl-6-(2-propoxyphenyl)pyrimidine-5-carboxamide
CID 54851987
6-[2-(2-methoxyethoxy)phenyl]-5-propylpyrimidin-4-amine
CID 104663231
1-(chloromethoxy)-2-propoxybenzene
CID 79530194
potassium 2-propoxyphenolate
CID 23686802

Frequently Asked Questions

What is the IUPAC name of 4-(2-propoxyphenyl)phthalazin-1-amine?
The IUPAC name of 4-(2-propoxyphenyl)phthalazin-1-amine (CID 104663111) is 4-(2-propoxyphenyl)phthalazin-1-amine.
What is the SMILES notation for 4-(2-propoxyphenyl)phthalazin-1-amine?
The canonical SMILES for 4-(2-propoxyphenyl)phthalazin-1-amine is CCCOc1ccccc1-c1nnc(N)c2ccccc12.
What is the InChIKey of 4-(2-propoxyphenyl)phthalazin-1-amine?
The InChIKey is DDPYNNJOYYDTES-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O/c1-2-11-21-15-10-6-5-9-14(15)16-12-7-3-4-8-13(12)17(18)20-19-16/h3-10H,2,11H2,1H3,(H2,18,20).
What are the key properties of 4-(2-propoxyphenyl)phthalazin-1-amine?
4-(2-propoxyphenyl)phthalazin-1-amine has a molecular weight of 279.34 g/mol, XLogP of 3.67, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-propoxyphenyl)phthalazin-1-amine is sourced from PubChem (CID 104663111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).