1-(2,4-dimethylphenyl)-2-(4-methylanilino)ethanone

C17H19NO — CID 82119914

IUPAC1-(2,4-dimethylphenyl)-2-(4-methylanilino)ethanone
SMILESCc1ccc(NCC(=O)c2ccc(C)cc2C)cc1
InChIInChI=1S/C17H19NO/c1-12-4-7-15(8-5-12)18-11-17(19)16-9-6-13(2)10-14(16)3/h4-10,18H,11H2,1-3H3
InChIKeyILPOGYDBIDZKHV-UHFFFAOYSA-N
MW253.34 g/mol
LogP3.91
Rot. Bonds4

About 1-(2,4-dimethylphenyl)-2-(4-methylanilino)ethanone

1-(2,4-dimethylphenyl)-2-(4-methylanilino)ethanone (PubChem CID 82119914) has the molecular formula C17H19NO and a molecular weight of 253.34 g/mol. Its IUPAC name is 1-(2,4-dimethylphenyl)-2-(4-methylanilino)ethanone.

Molecular Properties

Compound Name1-(2,4-dimethylphenyl)-2-(4-methylanilino)ethanone
PubChem CID82119914
Molecular FormulaC17H19NO
Molecular Weight253.34 g/mol
Exact Mass253.15
IUPAC Name1-(2,4-dimethylphenyl)-2-(4-methylanilino)ethanone
SMILESCc1ccc(NCC(=O)c2ccc(C)cc2C)cc1
InChIInChI=1S/C17H19NO/c1-12-4-7-15(8-5-12)18-11-17(19)16-9-6-13(2)10-14(16)3/h4-10,18H,11H2,1-3H3
InChIKeyILPOGYDBIDZKHV-UHFFFAOYSA-N
XLogP3.91
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.34
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2,4-dimethylphenyl)-2-(4-ethylanilino)ethanone
CID 94278555
1-(2,5-dimethylphenyl)-2-(4-fluoroanilino)ethanone
CID 82120744
2-(3,4-dimethylanilino)-1-(4-methylphenyl)ethanone
CID 82119902
1-(2,4-dimethylphenyl)butane-1,3-dione
CID 19917258
1-(4-iodophenyl)-2-(4-methylanilino)ethanone
CID 35580992
2-(4-iodoanilino)-1-(4-methylphenyl)ethanone
CID 110823714
2-(butylamino)-1-(2,4-dimethylphenyl)ethanone
CID 82101652
1-(4-methoxy-3-methylphenyl)-2-(4-methylanilino)ethanone
CID 94279481
2-(4-methylanilino)-1-phenylethanone
CID 4230722
3-(2,4-dimethylphenyl)-N-methyl-3-oxopropanethioamide
CID 142659824
ethane;1-(4-methylanilino)propan-2-one
CID 143614458
2-[(4-chlorophenyl)methylamino]-1-(2,4-dimethylphenyl)ethanone
CID 82101686

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-dimethylphenyl)-2-(4-methylanilino)ethanone?
The IUPAC name of 1-(2,4-dimethylphenyl)-2-(4-methylanilino)ethanone (CID 82119914) is 1-(2,4-dimethylphenyl)-2-(4-methylanilino)ethanone.
What is the SMILES notation for 1-(2,4-dimethylphenyl)-2-(4-methylanilino)ethanone?
The canonical SMILES for 1-(2,4-dimethylphenyl)-2-(4-methylanilino)ethanone is Cc1ccc(NCC(=O)c2ccc(C)cc2C)cc1.
What is the InChIKey of 1-(2,4-dimethylphenyl)-2-(4-methylanilino)ethanone?
The InChIKey is ILPOGYDBIDZKHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO/c1-12-4-7-15(8-5-12)18-11-17(19)16-9-6-13(2)10-14(16)3/h4-10,18H,11H2,1-3H3.
What are the key properties of 1-(2,4-dimethylphenyl)-2-(4-methylanilino)ethanone?
1-(2,4-dimethylphenyl)-2-(4-methylanilino)ethanone has a molecular weight of 253.34 g/mol, XLogP of 3.91, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-dimethylphenyl)-2-(4-methylanilino)ethanone is sourced from PubChem (CID 82119914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).