9-[(2,4-dimethylphenyl)methylamino]-3,3-dimethyl-2,4-dihydroacridin-10-ium-1-one

C24H27N2O+ — CID 7074681

IUPAC9-[(2,4-dimethylphenyl)methylamino]-3,3-dimethyl-2,4-dihydroacridin-10-ium-1-one
SMILESCc1ccc(CNc2c3c([nH+]c4ccccc24)CC(C)(C)CC3=O)c(C)c1
InChIInChI=1S/C24H26N2O/c1-15-9-10-17(16(2)11-15)14-25-23-18-7-5-6-8-19(18)26-20-12-24(3,4)13-21(27)22(20)23/h5-11H,12-14H2,1-4H3,(H,25,26)/p+1
InChIKeyXWJVAEPEHQJGAA-UHFFFAOYSA-O
MW359.49 g/mol
LogP5.04
Rot. Bonds3

About 9-[(2,4-dimethylphenyl)methylamino]-3,3-dimethyl-2,4-dihydroacridin-10-ium-1-one

9-[(2,4-dimethylphenyl)methylamino]-3,3-dimethyl-2,4-dihydroacridin-10-ium-1-one (PubChem CID 7074681) has the molecular formula C24H27N2O+ and a molecular weight of 359.49 g/mol. Its IUPAC name is 9-[(2,4-dimethylphenyl)methylamino]-3,3-dimethyl-2,4-dihydroacridin-10-ium-1-one.

Molecular Properties

Compound Name9-[(2,4-dimethylphenyl)methylamino]-3,3-dimethyl-2,4-dihydroacridin-10-ium-1-one
PubChem CID7074681
Molecular FormulaC24H27N2O+
Molecular Weight359.49 g/mol
Exact Mass359.21
IUPAC Name9-[(2,4-dimethylphenyl)methylamino]-3,3-dimethyl-2,4-dihydroacridin-10-ium-1-one
SMILESCc1ccc(CNc2c3c([nH+]c4ccccc24)CC(C)(C)CC3=O)c(C)c1
InChIInChI=1S/C24H26N2O/c1-15-9-10-17(16(2)11-15)14-25-23-18-7-5-6-8-19(18)26-20-12-24(3,4)13-21(27)22(20)23/h5-11H,12-14H2,1-4H3,(H,25,26)/p+1
InChIKeyXWJVAEPEHQJGAA-UHFFFAOYSA-O
XLogP5.04
TPSA43.24 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500359.49
LogP ≤ 55.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 9-[(2,4-dimethylphenyl)methylamino]-3,3-dimethyl-2,4-dihydroacridin-10-ium-1-one?
The IUPAC name of 9-[(2,4-dimethylphenyl)methylamino]-3,3-dimethyl-2,4-dihydroacridin-10-ium-1-one (CID 7074681) is 9-[(2,4-dimethylphenyl)methylamino]-3,3-dimethyl-2,4-dihydroacridin-10-ium-1-one.
What is the SMILES notation for 9-[(2,4-dimethylphenyl)methylamino]-3,3-dimethyl-2,4-dihydroacridin-10-ium-1-one?
The canonical SMILES for 9-[(2,4-dimethylphenyl)methylamino]-3,3-dimethyl-2,4-dihydroacridin-10-ium-1-one is Cc1ccc(CNc2c3c([nH+]c4ccccc24)CC(C)(C)CC3=O)c(C)c1.
What is the InChIKey of 9-[(2,4-dimethylphenyl)methylamino]-3,3-dimethyl-2,4-dihydroacridin-10-ium-1-one?
The InChIKey is XWJVAEPEHQJGAA-UHFFFAOYSA-O. The full InChI is InChI=1S/C24H26N2O/c1-15-9-10-17(16(2)11-15)14-25-23-18-7-5-6-8-19(18)26-20-12-24(3,4)13-21(27)22(20)23/h5-11H,12-14H2,1-4H3,(H,25,26)/p+1.
What are the key properties of 9-[(2,4-dimethylphenyl)methylamino]-3,3-dimethyl-2,4-dihydroacridin-10-ium-1-one?
9-[(2,4-dimethylphenyl)methylamino]-3,3-dimethyl-2,4-dihydroacridin-10-ium-1-one has a molecular weight of 359.49 g/mol, XLogP of 5.04, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[(2,4-dimethylphenyl)methylamino]-3,3-dimethyl-2,4-dihydroacridin-10-ium-1-one is sourced from PubChem (CID 7074681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).