1-(3,4-dimethylphenyl)-2-(ethylamino)ethanone

C12H17NO — CID 82101255

IUPAC1-(3,4-dimethylphenyl)-2-(ethylamino)ethanone
SMILESCCNCC(=O)c1ccc(C)c(C)c1
InChIInChI=1S/C12H17NO/c1-4-13-8-12(14)11-6-5-9(2)10(3)7-11/h5-7,13H,4,8H2,1-3H3
InChIKeyLNDCVGBEEZHFBX-UHFFFAOYSA-N
MW191.27 g/mol
LogP2.10
Rot. Bonds4

About 1-(3,4-dimethylphenyl)-2-(ethylamino)ethanone

1-(3,4-dimethylphenyl)-2-(ethylamino)ethanone (PubChem CID 82101255) has the molecular formula C12H17NO and a molecular weight of 191.27 g/mol. Its IUPAC name is 1-(3,4-dimethylphenyl)-2-(ethylamino)ethanone.

Molecular Properties

Compound Name1-(3,4-dimethylphenyl)-2-(ethylamino)ethanone
PubChem CID82101255
Molecular FormulaC12H17NO
Molecular Weight191.27 g/mol
Exact Mass191.13
IUPAC Name1-(3,4-dimethylphenyl)-2-(ethylamino)ethanone
SMILESCCNCC(=O)c1ccc(C)c(C)c1
InChIInChI=1S/C12H17NO/c1-4-13-8-12(14)11-6-5-9(2)10(3)7-11/h5-7,13H,4,8H2,1-3H3
InChIKeyLNDCVGBEEZHFBX-UHFFFAOYSA-N
XLogP2.10
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.27
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(tert-butylamino)-1-(3,4-dimethylphenyl)ethanone
CID 82101251
1-(4-methoxy-3-methylphenyl)-2-(propylamino)ethanone
CID 82101767
N-[2-[[2-(3,4-dimethylphenyl)-2-oxoethyl]amino]ethyl]-4-methylbenzamide
CID 170027016
1-(3,4-dihydroxy-5-methylphenyl)-2-(ethylamino)ethanone
CID 19824318
4-(3,4-dimethylphenyl)-N-ethyl-4-oxobutanamide
CID 94261400
N-[2-(3,4-dimethylphenyl)-2-oxoethyl]pentanamide
CID 94266976
1-(3,4-dimethylphenyl)-2-(pyridin-2-ylmethylamino)ethanone
CID 82101270
1-(1,3-benzodioxol-5-yl)-2-(ethylamino)ethanone
CID 82112937
1-(3,4-dimethylphenyl)-2-sulfanylethanone
CID 82125292
N-[5-[2-(ethylamino)acetyl]-2-methoxyphenyl]acetamide
CID 98784358
2-(ethylamino)-1-phenylethanone;methanol
CID 143922516
1-(3,4-dimethylphenyl)-2-[2-(3,4-dimethylphenyl)-2-oxoethyl]selanylethanone
CID 135086680

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dimethylphenyl)-2-(ethylamino)ethanone?
The IUPAC name of 1-(3,4-dimethylphenyl)-2-(ethylamino)ethanone (CID 82101255) is 1-(3,4-dimethylphenyl)-2-(ethylamino)ethanone.
What is the SMILES notation for 1-(3,4-dimethylphenyl)-2-(ethylamino)ethanone?
The canonical SMILES for 1-(3,4-dimethylphenyl)-2-(ethylamino)ethanone is CCNCC(=O)c1ccc(C)c(C)c1.
What is the InChIKey of 1-(3,4-dimethylphenyl)-2-(ethylamino)ethanone?
The InChIKey is LNDCVGBEEZHFBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO/c1-4-13-8-12(14)11-6-5-9(2)10(3)7-11/h5-7,13H,4,8H2,1-3H3.
What are the key properties of 1-(3,4-dimethylphenyl)-2-(ethylamino)ethanone?
1-(3,4-dimethylphenyl)-2-(ethylamino)ethanone has a molecular weight of 191.27 g/mol, XLogP of 2.10, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dimethylphenyl)-2-(ethylamino)ethanone is sourced from PubChem (CID 82101255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).