1-phenyl-2-(2,4,6-trimethylanilino)butan-1-one

C19H23NO — CID 162415494

IUPAC1-phenyl-2-(2,4,6-trimethylanilino)butan-1-one
SMILESCCC(Nc1c(C)cc(C)cc1C)C(=O)c1ccccc1
InChIInChI=1S/C19H23NO/c1-5-17(19(21)16-9-7-6-8-10-16)20-18-14(3)11-13(2)12-15(18)4/h6-12,17,20H,5H2,1-4H3
InChIKeyCHYCVSJBVZGBAF-UHFFFAOYSA-N
MW281.40 g/mol
LogP4.69
Rot. Bonds5

About 1-phenyl-2-(2,4,6-trimethylanilino)butan-1-one

1-phenyl-2-(2,4,6-trimethylanilino)butan-1-one (PubChem CID 162415494) has the molecular formula C19H23NO and a molecular weight of 281.40 g/mol. Its IUPAC name is 1-phenyl-2-(2,4,6-trimethylanilino)butan-1-one.

Molecular Properties

Compound Name1-phenyl-2-(2,4,6-trimethylanilino)butan-1-one
PubChem CID162415494
Molecular FormulaC19H23NO
Molecular Weight281.40 g/mol
Exact Mass281.18
IUPAC Name1-phenyl-2-(2,4,6-trimethylanilino)butan-1-one
SMILESCCC(Nc1c(C)cc(C)cc1C)C(=O)c1ccccc1
InChIInChI=1S/C19H23NO/c1-5-17(19(21)16-9-7-6-8-10-16)20-18-14(3)11-13(2)12-15(18)4/h6-12,17,20H,5H2,1-4H3
InChIKeyCHYCVSJBVZGBAF-UHFFFAOYSA-N
XLogP4.69
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.40
LogP ≤ 54.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-phenyl-2-(2,4,6-trimethylanilino)butan-1-one?
The IUPAC name of 1-phenyl-2-(2,4,6-trimethylanilino)butan-1-one (CID 162415494) is 1-phenyl-2-(2,4,6-trimethylanilino)butan-1-one.
What is the SMILES notation for 1-phenyl-2-(2,4,6-trimethylanilino)butan-1-one?
The canonical SMILES for 1-phenyl-2-(2,4,6-trimethylanilino)butan-1-one is CCC(Nc1c(C)cc(C)cc1C)C(=O)c1ccccc1.
What is the InChIKey of 1-phenyl-2-(2,4,6-trimethylanilino)butan-1-one?
The InChIKey is CHYCVSJBVZGBAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23NO/c1-5-17(19(21)16-9-7-6-8-10-16)20-18-14(3)11-13(2)12-15(18)4/h6-12,17,20H,5H2,1-4H3.
What are the key properties of 1-phenyl-2-(2,4,6-trimethylanilino)butan-1-one?
1-phenyl-2-(2,4,6-trimethylanilino)butan-1-one has a molecular weight of 281.40 g/mol, XLogP of 4.69, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-2-(2,4,6-trimethylanilino)butan-1-one is sourced from PubChem (CID 162415494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).