N,N-diethyl-2-[4-(4-methylphenyl)phthalazin-1-yl]oxyethanamine

C21H25N3O — CID 2885087

IUPACN,N-diethyl-2-[4-(4-methylphenyl)phthalazin-1-yl]oxyethanamine
SMILESCCN(CC)CCOc1nnc(-c2ccc(C)cc2)c2ccccc12
InChIInChI=1S/C21H25N3O/c1-4-24(5-2)14-15-25-21-19-9-7-6-8-18(19)20(22-23-21)17-12-10-16(3)11-13-17/h6-13H,4-5,14-15H2,1-3H3
InChIKeyKBWKBBCMGOAGKF-UHFFFAOYSA-N
MW335.45 g/mol
LogP4.33
Rot. Bonds7

About N,N-diethyl-2-[4-(4-methylphenyl)phthalazin-1-yl]oxyethanamine

N,N-diethyl-2-[4-(4-methylphenyl)phthalazin-1-yl]oxyethanamine (PubChem CID 2885087) has the molecular formula C21H25N3O and a molecular weight of 335.45 g/mol. Its IUPAC name is N,N-diethyl-2-[4-(4-methylphenyl)phthalazin-1-yl]oxyethanamine.

Molecular Properties

Compound NameN,N-diethyl-2-[4-(4-methylphenyl)phthalazin-1-yl]oxyethanamine
PubChem CID2885087
Molecular FormulaC21H25N3O
Molecular Weight335.45 g/mol
Exact Mass335.20
IUPAC NameN,N-diethyl-2-[4-(4-methylphenyl)phthalazin-1-yl]oxyethanamine
SMILESCCN(CC)CCOc1nnc(-c2ccc(C)cc2)c2ccccc12
InChIInChI=1S/C21H25N3O/c1-4-24(5-2)14-15-25-21-19-9-7-6-8-18(19)20(22-23-21)17-12-10-16(3)11-13-17/h6-13H,4-5,14-15H2,1-3H3
InChIKeyKBWKBBCMGOAGKF-UHFFFAOYSA-N
XLogP4.33
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.45
LogP ≤ 54.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-2-[4-(4-methylphenyl)phthalazin-1-yl]oxyethanamine?
The IUPAC name of N,N-diethyl-2-[4-(4-methylphenyl)phthalazin-1-yl]oxyethanamine (CID 2885087) is N,N-diethyl-2-[4-(4-methylphenyl)phthalazin-1-yl]oxyethanamine.
What is the SMILES notation for N,N-diethyl-2-[4-(4-methylphenyl)phthalazin-1-yl]oxyethanamine?
The canonical SMILES for N,N-diethyl-2-[4-(4-methylphenyl)phthalazin-1-yl]oxyethanamine is CCN(CC)CCOc1nnc(-c2ccc(C)cc2)c2ccccc12.
What is the InChIKey of N,N-diethyl-2-[4-(4-methylphenyl)phthalazin-1-yl]oxyethanamine?
The InChIKey is KBWKBBCMGOAGKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3O/c1-4-24(5-2)14-15-25-21-19-9-7-6-8-18(19)20(22-23-21)17-12-10-16(3)11-13-17/h6-13H,4-5,14-15H2,1-3H3.
What are the key properties of N,N-diethyl-2-[4-(4-methylphenyl)phthalazin-1-yl]oxyethanamine?
N,N-diethyl-2-[4-(4-methylphenyl)phthalazin-1-yl]oxyethanamine has a molecular weight of 335.45 g/mol, XLogP of 4.33, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-2-[4-(4-methylphenyl)phthalazin-1-yl]oxyethanamine is sourced from PubChem (CID 2885087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).