N-(2-methoxyethyl)-4-phenylphthalazin-1-amine

C17H17N3O — CID 6405351

IUPACN-(2-methoxyethyl)-4-phenylphthalazin-1-amine
SMILESCOCCNc1nnc(-c2ccccc2)c2ccccc12
InChIInChI=1S/C17H17N3O/c1-21-12-11-18-17-15-10-6-5-9-14(15)16(19-20-17)13-7-3-2-4-8-13/h2-10H,11-12H2,1H3,(H,18,20)
InChIKeyGTGOKDVDPSGIMQ-UHFFFAOYSA-N
MW279.34 g/mol
LogP3.36
Rot. Bonds5

About N-(2-methoxyethyl)-4-phenylphthalazin-1-amine

N-(2-methoxyethyl)-4-phenylphthalazin-1-amine (PubChem CID 6405351) has the molecular formula C17H17N3O and a molecular weight of 279.34 g/mol. Its IUPAC name is N-(2-methoxyethyl)-4-phenylphthalazin-1-amine.

Molecular Properties

Compound NameN-(2-methoxyethyl)-4-phenylphthalazin-1-amine
PubChem CID6405351
Molecular FormulaC17H17N3O
Molecular Weight279.34 g/mol
Exact Mass279.14
IUPAC NameN-(2-methoxyethyl)-4-phenylphthalazin-1-amine
SMILESCOCCNc1nnc(-c2ccccc2)c2ccccc12
InChIInChI=1S/C17H17N3O/c1-21-12-11-18-17-15-10-6-5-9-14(15)16(19-20-17)13-7-3-2-4-8-13/h2-10H,11-12H2,1H3,(H,18,20)
InChIKeyGTGOKDVDPSGIMQ-UHFFFAOYSA-N
XLogP3.36
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethyl)-4-phenylphthalazin-1-amine?
The IUPAC name of N-(2-methoxyethyl)-4-phenylphthalazin-1-amine (CID 6405351) is N-(2-methoxyethyl)-4-phenylphthalazin-1-amine.
What is the SMILES notation for N-(2-methoxyethyl)-4-phenylphthalazin-1-amine?
The canonical SMILES for N-(2-methoxyethyl)-4-phenylphthalazin-1-amine is COCCNc1nnc(-c2ccccc2)c2ccccc12.
What is the InChIKey of N-(2-methoxyethyl)-4-phenylphthalazin-1-amine?
The InChIKey is GTGOKDVDPSGIMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O/c1-21-12-11-18-17-15-10-6-5-9-14(15)16(19-20-17)13-7-3-2-4-8-13/h2-10H,11-12H2,1H3,(H,18,20).
What are the key properties of N-(2-methoxyethyl)-4-phenylphthalazin-1-amine?
N-(2-methoxyethyl)-4-phenylphthalazin-1-amine has a molecular weight of 279.34 g/mol, XLogP of 3.36, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)-4-phenylphthalazin-1-amine is sourced from PubChem (CID 6405351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).