1-(2-methoxyphenyl)-2-(3-methylanilino)ethanone

C16H17NO2 — CID 94271270

IUPAC1-(2-methoxyphenyl)-2-(3-methylanilino)ethanone
SMILESCOc1ccccc1C(=O)CNc1cccc(C)c1
InChIInChI=1S/C16H17NO2/c1-12-6-5-7-13(10-12)17-11-15(18)14-8-3-4-9-16(14)19-2/h3-10,17H,11H2,1-2H3
InChIKeySQOAGGOFOARXKA-UHFFFAOYSA-N
MW255.32 g/mol
LogP3.30
Rot. Bonds5

About 1-(2-methoxyphenyl)-2-(3-methylanilino)ethanone

1-(2-methoxyphenyl)-2-(3-methylanilino)ethanone (PubChem CID 94271270) has the molecular formula C16H17NO2 and a molecular weight of 255.32 g/mol. Its IUPAC name is 1-(2-methoxyphenyl)-2-(3-methylanilino)ethanone.

Molecular Properties

Compound Name1-(2-methoxyphenyl)-2-(3-methylanilino)ethanone
PubChem CID94271270
Molecular FormulaC16H17NO2
Molecular Weight255.32 g/mol
Exact Mass255.13
IUPAC Name1-(2-methoxyphenyl)-2-(3-methylanilino)ethanone
SMILESCOc1ccccc1C(=O)CNc1cccc(C)c1
InChIInChI=1S/C16H17NO2/c1-12-6-5-7-13(10-12)17-11-15(18)14-8-3-4-9-16(14)19-2/h3-10,17H,11H2,1-2H3
InChIKeySQOAGGOFOARXKA-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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Related Compounds

1,3-bis(2-methoxyphenyl)propane-1,3-dione
CID 15664665
N-[(2-methoxyphenyl)methyl]-3-methylaniline;oxalic acid
CID 90483636
4-[[2-(2-methoxyphenyl)-2-oxoethyl]amino]benzonitrile
CID 94277782
2-anilino-1-(2,4-dimethoxyphenyl)ethanone
CID 94281074
N-[(2-methoxyphenoxy)methyl]-3-methylaniline
CID 20614867
2-(2-fluoroanilino)-1-(2-methoxyphenyl)ethanone
CID 94272670
N-[2-(2-methoxyphenyl)-2-oxoethyl]acetamide
CID 12945637
2-(2,5-dimethylphenyl)-1-(2-methoxyphenyl)ethanone
CID 61481684
1-(2-methoxyphenyl)-2-(2,4,4-trimethylpentan-2-ylamino)ethanone
CID 82102169
1-(2-methoxyphenyl)-2-[(3-methylphenyl)methylsulfanyl]ethanone
CID 62765201
N-(5-acetamido-2-methoxyphenyl)-2-(3-methylanilino)acetamide
CID 51224557
2-[[2-(3-methylanilino)acetyl]amino]benzoic acid
CID 10589114

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxyphenyl)-2-(3-methylanilino)ethanone?
The IUPAC name of 1-(2-methoxyphenyl)-2-(3-methylanilino)ethanone (CID 94271270) is 1-(2-methoxyphenyl)-2-(3-methylanilino)ethanone.
What is the SMILES notation for 1-(2-methoxyphenyl)-2-(3-methylanilino)ethanone?
The canonical SMILES for 1-(2-methoxyphenyl)-2-(3-methylanilino)ethanone is COc1ccccc1C(=O)CNc1cccc(C)c1.
What is the InChIKey of 1-(2-methoxyphenyl)-2-(3-methylanilino)ethanone?
The InChIKey is SQOAGGOFOARXKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NO2/c1-12-6-5-7-13(10-12)17-11-15(18)14-8-3-4-9-16(14)19-2/h3-10,17H,11H2,1-2H3.
What are the key properties of 1-(2-methoxyphenyl)-2-(3-methylanilino)ethanone?
1-(2-methoxyphenyl)-2-(3-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-(2-methoxyphenyl)-2-(3-methylanilino)ethanone is sourced from PubChem (CID 94271270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).