2-(N-ethyl-3-methylanilino)-1-(2-methylphenyl)ethanone

C18H21NO — CID 61102989

IUPAC2-(N-ethyl-3-methylanilino)-1-(2-methylphenyl)ethanone
SMILESCCN(CC(=O)c1ccccc1C)c1cccc(C)c1
InChIInChI=1S/C18H21NO/c1-4-19(16-10-7-8-14(2)12-16)13-18(20)17-11-6-5-9-15(17)3/h5-12H,4,13H2,1-3H3
InChIKeyFZPFEYUJVPXDJN-UHFFFAOYSA-N
MW267.37 g/mol
LogP4.01
Rot. Bonds5

About 2-(N-ethyl-3-methylanilino)-1-(2-methylphenyl)ethanone

2-(N-ethyl-3-methylanilino)-1-(2-methylphenyl)ethanone (PubChem CID 61102989) has the molecular formula C18H21NO and a molecular weight of 267.37 g/mol. Its IUPAC name is 2-(N-ethyl-3-methylanilino)-1-(2-methylphenyl)ethanone.

Molecular Properties

Compound Name2-(N-ethyl-3-methylanilino)-1-(2-methylphenyl)ethanone
PubChem CID61102989
Molecular FormulaC18H21NO
Molecular Weight267.37 g/mol
Exact Mass267.16
IUPAC Name2-(N-ethyl-3-methylanilino)-1-(2-methylphenyl)ethanone
SMILESCCN(CC(=O)c1ccccc1C)c1cccc(C)c1
InChIInChI=1S/C18H21NO/c1-4-19(16-10-7-8-14(2)12-16)13-18(20)17-11-6-5-9-15(17)3/h5-12H,4,13H2,1-3H3
InChIKeyFZPFEYUJVPXDJN-UHFFFAOYSA-N
XLogP4.01
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.37
LogP ≤ 54.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2,4-dimethylphenyl)-2-(N-ethylanilino)ethanone
CID 21420194
1-(N-ethyl-3-methylanilino)pentan-2-one
CID 62044649
2-(N-ethyl-3-methylanilino)-1-(4-iodophenyl)ethanone
CID 63566987
2-(N-ethyl-3-methylanilino)-N,N-dipropylacetamide
CID 109006691
2-[[2-(N-ethyl-3-methylanilino)acetyl]amino]benzamide
CID 47078032
1-(2,5-dimethylphenyl)-2-(N-ethyl-4-fluoroanilino)ethanone
CID 63566838
1-(N-ethyl-3-methylanilino)-3-methoxypropan-2-one
CID 107507164
1-cyclopentyl-2-(N-ethyl-3-methylanilino)ethanone
CID 104750103
N,N'-diethyl-N,N'-bis(3-methylphenyl)propane-1,3-diamine
CID 57172568
2-(N-ethylanilino)ethanol;2-(N-ethyl-3-methylanilino)ethanol
CID 67646691
potassium 3-(N-ethyl-3-methylanilino)prop-1-en-2-yl-trifluoroboranuide
CID 106745772
N-(2,6-difluorophenyl)-2-(N-ethyl-3-methylanilino)acetamide
CID 109011313

Frequently Asked Questions

What is the IUPAC name of 2-(N-ethyl-3-methylanilino)-1-(2-methylphenyl)ethanone?
The IUPAC name of 2-(N-ethyl-3-methylanilino)-1-(2-methylphenyl)ethanone (CID 61102989) is 2-(N-ethyl-3-methylanilino)-1-(2-methylphenyl)ethanone.
What is the SMILES notation for 2-(N-ethyl-3-methylanilino)-1-(2-methylphenyl)ethanone?
The canonical SMILES for 2-(N-ethyl-3-methylanilino)-1-(2-methylphenyl)ethanone is CCN(CC(=O)c1ccccc1C)c1cccc(C)c1.
What is the InChIKey of 2-(N-ethyl-3-methylanilino)-1-(2-methylphenyl)ethanone?
The InChIKey is FZPFEYUJVPXDJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NO/c1-4-19(16-10-7-8-14(2)12-16)13-18(20)17-11-6-5-9-15(17)3/h5-12H,4,13H2,1-3H3.
What are the key properties of 2-(N-ethyl-3-methylanilino)-1-(2-methylphenyl)ethanone?
2-(N-ethyl-3-methylanilino)-1-(2-methylphenyl)ethanone has a molecular weight of 267.37 g/mol, XLogP of 4.01, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(N-ethyl-3-methylanilino)-1-(2-methylphenyl)ethanone is sourced from PubChem (CID 61102989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).