1-(4-methoxy-3-methylphenyl)-2-(4-methylanilino)ethanone

C17H19NO2 — CID 94279481

IUPAC1-(4-methoxy-3-methylphenyl)-2-(4-methylanilino)ethanone
SMILESCOc1ccc(C(=O)CNc2ccc(C)cc2)cc1C
InChIInChI=1S/C17H19NO2/c1-12-4-7-15(8-5-12)18-11-16(19)14-6-9-17(20-3)13(2)10-14/h4-10,18H,11H2,1-3H3
InChIKeyVMIRXOUMGNEUKM-UHFFFAOYSA-N
MW269.34 g/mol
LogP3.61
Rot. Bonds5

About 1-(4-methoxy-3-methylphenyl)-2-(4-methylanilino)ethanone

1-(4-methoxy-3-methylphenyl)-2-(4-methylanilino)ethanone (PubChem CID 94279481) has the molecular formula C17H19NO2 and a molecular weight of 269.34 g/mol. Its IUPAC name is 1-(4-methoxy-3-methylphenyl)-2-(4-methylanilino)ethanone.

Molecular Properties

Compound Name1-(4-methoxy-3-methylphenyl)-2-(4-methylanilino)ethanone
PubChem CID94279481
Molecular FormulaC17H19NO2
Molecular Weight269.34 g/mol
Exact Mass269.14
IUPAC Name1-(4-methoxy-3-methylphenyl)-2-(4-methylanilino)ethanone
SMILESCOc1ccc(C(=O)CNc2ccc(C)cc2)cc1C
InChIInChI=1S/C17H19NO2/c1-12-4-7-15(8-5-12)18-11-16(19)14-6-9-17(20-3)13(2)10-14/h4-10,18H,11H2,1-3H3
InChIKeyVMIRXOUMGNEUKM-UHFFFAOYSA-N
XLogP3.61
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.34
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3,4-dimethylanilino)-1-(4-methylphenyl)ethanone
CID 82119902
ethane;4-methoxy-3-methyl-N-(4-methylphenyl)benzamide
CID 54213440
2-(3-chloro-4-methoxyanilino)-1-(3-chloro-4-methoxyphenyl)ethanone
CID 110823882
1-(4-methoxy-3-methylphenyl)-2-(propylamino)ethanone
CID 82101767
2-(dimethylamino)-1-(4-methoxy-3-methylphenyl)ethanone
CID 82077457
2-[3-(dimethylamino)propylamino]-1-(4-methoxy-3-methylphenyl)ethanone
CID 82101787
2-(4-bromoanilino)-1-(3-fluoro-4-methoxyphenyl)ethanone
CID 110823677
2-bromo-1-(4-methoxy-3-methylphenyl)ethanone
CID 13440066
1-(3,4-dimethylphenyl)-3-(4-methylanilino)propan-1-one
CID 94278599
2-(4-iodoanilino)-1-(4-methylphenyl)ethanone
CID 110823714
1-(2,4-dimethylphenyl)-2-(4-methylanilino)ethanone
CID 82119914
1-(4-iodophenyl)-2-(4-methylanilino)ethanone
CID 35580992

Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxy-3-methylphenyl)-2-(4-methylanilino)ethanone?
The IUPAC name of 1-(4-methoxy-3-methylphenyl)-2-(4-methylanilino)ethanone (CID 94279481) is 1-(4-methoxy-3-methylphenyl)-2-(4-methylanilino)ethanone.
What is the SMILES notation for 1-(4-methoxy-3-methylphenyl)-2-(4-methylanilino)ethanone?
The canonical SMILES for 1-(4-methoxy-3-methylphenyl)-2-(4-methylanilino)ethanone is COc1ccc(C(=O)CNc2ccc(C)cc2)cc1C.
What is the InChIKey of 1-(4-methoxy-3-methylphenyl)-2-(4-methylanilino)ethanone?
The InChIKey is VMIRXOUMGNEUKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO2/c1-12-4-7-15(8-5-12)18-11-16(19)14-6-9-17(20-3)13(2)10-14/h4-10,18H,11H2,1-3H3.
What are the key properties of 1-(4-methoxy-3-methylphenyl)-2-(4-methylanilino)ethanone?
1-(4-methoxy-3-methylphenyl)-2-(4-methylanilino)ethanone has a molecular weight of 269.34 g/mol, XLogP of 3.61, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxy-3-methylphenyl)-2-(4-methylanilino)ethanone is sourced from PubChem (CID 94279481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).