4-(2-methoxy-4-methylphenyl)-N-(8-oxabicyclo[3.2.1]octan-3-yl)phthalazin-1-amine

C23H25N3O2 — CID 176862074

IUPAC4-(2-methoxy-4-methylphenyl)-N-(8-oxabicyclo[3.2.1]octan-3-yl)phthalazin-1-amine
SMILESCOc1cc(C)ccc1-c1nnc(NC2CC3CCC(C2)O3)c2ccccc12
InChIInChI=1S/C23H25N3O2/c1-14-7-10-20(21(11-14)27-2)22-18-5-3-4-6-19(18)23(26-25-22)24-15-12-16-8-9-17(13-15)28-16/h3-7,10-11,15-17H,8-9,12-13H2,1-2H3,(H,24,26)
InChIKeyBYNSMUFDWGNEFS-UHFFFAOYSA-N
MW375.47 g/mol
LogP4.74
Rot. Bonds4

About 4-(2-methoxy-4-methylphenyl)-N-(8-oxabicyclo[3.2.1]octan-3-yl)phthalazin-1-amine

4-(2-methoxy-4-methylphenyl)-N-(8-oxabicyclo[3.2.1]octan-3-yl)phthalazin-1-amine (PubChem CID 176862074) has the molecular formula C23H25N3O2 and a molecular weight of 375.47 g/mol. Its IUPAC name is 4-(2-methoxy-4-methylphenyl)-N-(8-oxabicyclo[3.2.1]octan-3-yl)phthalazin-1-amine.

Molecular Properties

Compound Name4-(2-methoxy-4-methylphenyl)-N-(8-oxabicyclo[3.2.1]octan-3-yl)phthalazin-1-amine
PubChem CID176862074
Molecular FormulaC23H25N3O2
Molecular Weight375.47 g/mol
Exact Mass375.19
IUPAC Name4-(2-methoxy-4-methylphenyl)-N-(8-oxabicyclo[3.2.1]octan-3-yl)phthalazin-1-amine
SMILESCOc1cc(C)ccc1-c1nnc(NC2CC3CCC(C2)O3)c2ccccc12
InChIInChI=1S/C23H25N3O2/c1-14-7-10-20(21(11-14)27-2)22-18-5-3-4-6-19(18)23(26-25-22)24-15-12-16-8-9-17(13-15)28-16/h3-7,10-11,15-17H,8-9,12-13H2,1-2H3,(H,24,26)
InChIKeyBYNSMUFDWGNEFS-UHFFFAOYSA-N
XLogP4.74
TPSA56.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.47
LogP ≤ 54.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4-(2-methoxy-4-methylphenyl)-N-(8-oxabicyclo[3.2.1]octan-3-yl)phthalazin-1-amine with MolForge

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Related Compounds

1-(2-methoxy-4-methylphenyl)-N-[(1R,5S)-8-oxabicyclo[3.2.1]octan-3-yl]pyrido[3,4-d]pyridazin-4-amine
CID 171553774
N-(6,6-dimethyloxan-3-yl)-1-(2-methoxy-4-methylphenyl)pyrido[3,4-d]pyridazin-4-amine
CID 170172737
4-(4-cyclopropyl-2-methoxyphenyl)-N-[(3R)-1-methylpiperidin-3-yl]phthalazin-1-amine
CID 166151208
N-[(3R)-1-deuteriopiperidin-3-yl]-4-(2-methoxy-4-methylphenyl)thieno[2,3-d]pyridazin-7-amine
CID 175827469
3-methoxy-4-[4-[[(3R)-1-methylpiperidin-3-yl]amino]phthalazin-1-yl]benzonitrile
CID 166151237
(3R)-3-[[7-bromo-4-(2-methoxy-4-methylphenyl)phthalazin-1-yl]amino]piperidine-1-carboxylic acid
CID 175368317
tert-butyl (3R)-3-[[1-(2-methoxy-4-methylphenyl)pyrido[3,4-d]pyridazin-4-yl]amino]piperidine-1-carboxylate
CID 166151316
4-chloro-1-(2-methoxy-4-methylphenyl)-6-methylphthalazine
CID 166151415
4-[2-(methoxymethoxy)-4-(2-trimethylsilylethynyl)phenyl]-N-(1-methylpiperidin-3-yl)phthalazin-1-amine
CID 175599400
tert-butyl 3-[[4-(4-bromo-2-methoxyphenyl)phthalazin-1-yl]amino]piperidine-1-carboxylate
CID 175387977
tert-butyl (3R)-3-[[4-(2-methoxy-4-methylphenyl)-7-(trifluoromethyl)phthalazin-1-yl]amino]piperidine-1-carboxylate
CID 166151325
tert-butyl (3R)-3-[[4-[4-(difluoromethyl)-2-methoxyphenyl]phthalazin-1-yl]amino]piperidine-1-carboxylate
CID 170553899

Frequently Asked Questions

What is the IUPAC name of 4-(2-methoxy-4-methylphenyl)-N-(8-oxabicyclo[3.2.1]octan-3-yl)phthalazin-1-amine?
The IUPAC name of 4-(2-methoxy-4-methylphenyl)-N-(8-oxabicyclo[3.2.1]octan-3-yl)phthalazin-1-amine (CID 176862074) is 4-(2-methoxy-4-methylphenyl)-N-(8-oxabicyclo[3.2.1]octan-3-yl)phthalazin-1-amine.
What is the SMILES notation for 4-(2-methoxy-4-methylphenyl)-N-(8-oxabicyclo[3.2.1]octan-3-yl)phthalazin-1-amine?
The canonical SMILES for 4-(2-methoxy-4-methylphenyl)-N-(8-oxabicyclo[3.2.1]octan-3-yl)phthalazin-1-amine is COc1cc(C)ccc1-c1nnc(NC2CC3CCC(C2)O3)c2ccccc12.
What is the InChIKey of 4-(2-methoxy-4-methylphenyl)-N-(8-oxabicyclo[3.2.1]octan-3-yl)phthalazin-1-amine?
The InChIKey is BYNSMUFDWGNEFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N3O2/c1-14-7-10-20(21(11-14)27-2)22-18-5-3-4-6-19(18)23(26-25-22)24-15-12-16-8-9-17(13-15)28-16/h3-7,10-11,15-17H,8-9,12-13H2,1-2H3,(H,24,26).
What are the key properties of 4-(2-methoxy-4-methylphenyl)-N-(8-oxabicyclo[3.2.1]octan-3-yl)phthalazin-1-amine?
4-(2-methoxy-4-methylphenyl)-N-(8-oxabicyclo[3.2.1]octan-3-yl)phthalazin-1-amine has a molecular weight of 375.47 g/mol, XLogP of 4.74, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methoxy-4-methylphenyl)-N-(8-oxabicyclo[3.2.1]octan-3-yl)phthalazin-1-amine is sourced from PubChem (CID 176862074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).