bis[4-(dimethylamino)-2,3-dimethylphenyl]methanone

C21H28N2O — CID 66549240

IUPACbis[4-(dimethylamino)-2,3-dimethylphenyl]methanone
SMILESCc1c(C(=O)c2ccc(N(C)C)c(C)c2C)ccc(N(C)C)c1C
InChIInChI=1S/C21H28N2O/c1-13-15(3)19(22(5)6)11-9-17(13)21(24)18-10-12-20(23(7)8)16(4)14(18)2/h9-12H,1-8H3
InChIKeyOQEXMOLROLJOJA-UHFFFAOYSA-N
MW324.47 g/mol
LogP4.28
Rot. Bonds4

About bis[4-(dimethylamino)-2,3-dimethylphenyl]methanone

bis[4-(dimethylamino)-2,3-dimethylphenyl]methanone (PubChem CID 66549240) has the molecular formula C21H28N2O and a molecular weight of 324.47 g/mol. Its IUPAC name is bis[4-(dimethylamino)-2,3-dimethylphenyl]methanone.

Molecular Properties

Compound Namebis[4-(dimethylamino)-2,3-dimethylphenyl]methanone
PubChem CID66549240
Molecular FormulaC21H28N2O
Molecular Weight324.47 g/mol
Exact Mass324.22
IUPAC Namebis[4-(dimethylamino)-2,3-dimethylphenyl]methanone
SMILESCc1c(C(=O)c2ccc(N(C)C)c(C)c2C)ccc(N(C)C)c1C
InChIInChI=1S/C21H28N2O/c1-13-15(3)19(22(5)6)11-9-17(13)21(24)18-10-12-20(23(7)8)16(4)14(18)2/h9-12H,1-8H3
InChIKeyOQEXMOLROLJOJA-UHFFFAOYSA-N
XLogP4.28
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.47
LogP ≤ 54.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of bis[4-(dimethylamino)-2,3-dimethylphenyl]methanone?
The IUPAC name of bis[4-(dimethylamino)-2,3-dimethylphenyl]methanone (CID 66549240) is bis[4-(dimethylamino)-2,3-dimethylphenyl]methanone.
What is the SMILES notation for bis[4-(dimethylamino)-2,3-dimethylphenyl]methanone?
The canonical SMILES for bis[4-(dimethylamino)-2,3-dimethylphenyl]methanone is Cc1c(C(=O)c2ccc(N(C)C)c(C)c2C)ccc(N(C)C)c1C.
What is the InChIKey of bis[4-(dimethylamino)-2,3-dimethylphenyl]methanone?
The InChIKey is OQEXMOLROLJOJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N2O/c1-13-15(3)19(22(5)6)11-9-17(13)21(24)18-10-12-20(23(7)8)16(4)14(18)2/h9-12H,1-8H3.
What are the key properties of bis[4-(dimethylamino)-2,3-dimethylphenyl]methanone?
bis[4-(dimethylamino)-2,3-dimethylphenyl]methanone has a molecular weight of 324.47 g/mol, XLogP of 4.28, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for bis[4-(dimethylamino)-2,3-dimethylphenyl]methanone is sourced from PubChem (CID 66549240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).