1-(4-methoxyphenyl)-2-(2-methylanilino)ethanone

C16H17NO2 — CID 94271266

IUPAC1-(4-methoxyphenyl)-2-(2-methylanilino)ethanone
SMILESCOc1ccc(C(=O)CNc2ccccc2C)cc1
InChIInChI=1S/C16H17NO2/c1-12-5-3-4-6-15(12)17-11-16(18)13-7-9-14(19-2)10-8-13/h3-10,17H,11H2,1-2H3
InChIKeyLTJYGKIUGRNQFJ-UHFFFAOYSA-N
MW255.32 g/mol
LogP3.30
Rot. Bonds5

About 1-(4-methoxyphenyl)-2-(2-methylanilino)ethanone

1-(4-methoxyphenyl)-2-(2-methylanilino)ethanone (PubChem CID 94271266) has the molecular formula C16H17NO2 and a molecular weight of 255.32 g/mol. Its IUPAC name is 1-(4-methoxyphenyl)-2-(2-methylanilino)ethanone.

Molecular Properties

Compound Name1-(4-methoxyphenyl)-2-(2-methylanilino)ethanone
PubChem CID94271266
Molecular FormulaC16H17NO2
Molecular Weight255.32 g/mol
Exact Mass255.13
IUPAC Name1-(4-methoxyphenyl)-2-(2-methylanilino)ethanone
SMILESCOc1ccc(C(=O)CNc2ccccc2C)cc1
InChIInChI=1S/C16H17NO2/c1-12-5-3-4-6-15(12)17-11-16(18)13-7-9-14(19-2)10-8-13/h3-10,17H,11H2,1-2H3
InChIKeyLTJYGKIUGRNQFJ-UHFFFAOYSA-N
XLogP3.30
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.32
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxyphenyl)-2-(2-methylanilino)ethanone?
The IUPAC name of 1-(4-methoxyphenyl)-2-(2-methylanilino)ethanone (CID 94271266) is 1-(4-methoxyphenyl)-2-(2-methylanilino)ethanone.
What is the SMILES notation for 1-(4-methoxyphenyl)-2-(2-methylanilino)ethanone?
The canonical SMILES for 1-(4-methoxyphenyl)-2-(2-methylanilino)ethanone is COc1ccc(C(=O)CNc2ccccc2C)cc1.
What is the InChIKey of 1-(4-methoxyphenyl)-2-(2-methylanilino)ethanone?
The InChIKey is LTJYGKIUGRNQFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NO2/c1-12-5-3-4-6-15(12)17-11-16(18)13-7-9-14(19-2)10-8-13/h3-10,17H,11H2,1-2H3.
What are the key properties of 1-(4-methoxyphenyl)-2-(2-methylanilino)ethanone?
1-(4-methoxyphenyl)-2-(2-methylanilino)ethanone has a molecular weight of 255.32 g/mol, XLogP of 3.30, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxyphenyl)-2-(2-methylanilino)ethanone is sourced from PubChem (CID 94271266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).