2,6-dimethyl-4-[4-(4-methylphenyl)phthalazin-1-yl]morpholine

C21H23N3O — CID 6418527

IUPAC2,6-dimethyl-4-[4-(4-methylphenyl)phthalazin-1-yl]morpholine
SMILESCc1ccc(-c2nnc(N3CC(C)OC(C)C3)c3ccccc23)cc1
InChIInChI=1S/C21H23N3O/c1-14-8-10-17(11-9-14)20-18-6-4-5-7-19(18)21(23-22-20)24-12-15(2)25-16(3)13-24/h4-11,15-16H,12-13H2,1-3H3
InChIKeySXCHFAQGMVSWLH-UHFFFAOYSA-N
MW333.44 g/mol
LogP4.22
Rot. Bonds2

About 2,6-dimethyl-4-[4-(4-methylphenyl)phthalazin-1-yl]morpholine

2,6-dimethyl-4-[4-(4-methylphenyl)phthalazin-1-yl]morpholine (PubChem CID 6418527) has the molecular formula C21H23N3O and a molecular weight of 333.44 g/mol. Its IUPAC name is 2,6-dimethyl-4-[4-(4-methylphenyl)phthalazin-1-yl]morpholine.

Molecular Properties

Compound Name2,6-dimethyl-4-[4-(4-methylphenyl)phthalazin-1-yl]morpholine
PubChem CID6418527
Molecular FormulaC21H23N3O
Molecular Weight333.44 g/mol
Exact Mass333.18
IUPAC Name2,6-dimethyl-4-[4-(4-methylphenyl)phthalazin-1-yl]morpholine
SMILESCc1ccc(-c2nnc(N3CC(C)OC(C)C3)c3ccccc23)cc1
InChIInChI=1S/C21H23N3O/c1-14-8-10-17(11-9-14)20-18-6-4-5-7-19(18)21(23-22-20)24-12-15(2)25-16(3)13-24/h4-11,15-16H,12-13H2,1-3H3
InChIKeySXCHFAQGMVSWLH-UHFFFAOYSA-N
XLogP4.22
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.44
LogP ≤ 54.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2,6-dimethyl-4-[4-(4-methylphenyl)phthalazin-1-yl]morpholine?
The IUPAC name of 2,6-dimethyl-4-[4-(4-methylphenyl)phthalazin-1-yl]morpholine (CID 6418527) is 2,6-dimethyl-4-[4-(4-methylphenyl)phthalazin-1-yl]morpholine.
What is the SMILES notation for 2,6-dimethyl-4-[4-(4-methylphenyl)phthalazin-1-yl]morpholine?
The canonical SMILES for 2,6-dimethyl-4-[4-(4-methylphenyl)phthalazin-1-yl]morpholine is Cc1ccc(-c2nnc(N3CC(C)OC(C)C3)c3ccccc23)cc1.
What is the InChIKey of 2,6-dimethyl-4-[4-(4-methylphenyl)phthalazin-1-yl]morpholine?
The InChIKey is SXCHFAQGMVSWLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O/c1-14-8-10-17(11-9-14)20-18-6-4-5-7-19(18)21(23-22-20)24-12-15(2)25-16(3)13-24/h4-11,15-16H,12-13H2,1-3H3.
What are the key properties of 2,6-dimethyl-4-[4-(4-methylphenyl)phthalazin-1-yl]morpholine?
2,6-dimethyl-4-[4-(4-methylphenyl)phthalazin-1-yl]morpholine has a molecular weight of 333.44 g/mol, XLogP of 4.22, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dimethyl-4-[4-(4-methylphenyl)phthalazin-1-yl]morpholine is sourced from PubChem (CID 6418527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).