2-(propan-2-ylamino)-1-(2,4,6-trimethylphenyl)ethanone

C14H21NO — CID 82114243

IUPAC2-(propan-2-ylamino)-1-(2,4,6-trimethylphenyl)ethanone
SMILESCc1cc(C)c(C(=O)CNC(C)C)c(C)c1
InChIInChI=1S/C14H21NO/c1-9(2)15-8-13(16)14-11(4)6-10(3)7-12(14)5/h6-7,9,15H,8H2,1-5H3
InChIKeyOJYJXFTVWQOQCW-UHFFFAOYSA-N
MW219.33 g/mol
LogP2.79
Rot. Bonds4

About 2-(propan-2-ylamino)-1-(2,4,6-trimethylphenyl)ethanone

2-(propan-2-ylamino)-1-(2,4,6-trimethylphenyl)ethanone (PubChem CID 82114243) has the molecular formula C14H21NO and a molecular weight of 219.33 g/mol. Its IUPAC name is 2-(propan-2-ylamino)-1-(2,4,6-trimethylphenyl)ethanone.

Molecular Properties

Compound Name2-(propan-2-ylamino)-1-(2,4,6-trimethylphenyl)ethanone
PubChem CID82114243
Molecular FormulaC14H21NO
Molecular Weight219.33 g/mol
Exact Mass219.16
IUPAC Name2-(propan-2-ylamino)-1-(2,4,6-trimethylphenyl)ethanone
SMILESCc1cc(C)c(C(=O)CNC(C)C)c(C)c1
InChIInChI=1S/C14H21NO/c1-9(2)15-8-13(16)14-11(4)6-10(3)7-12(14)5/h6-7,9,15H,8H2,1-5H3
InChIKeyOJYJXFTVWQOQCW-UHFFFAOYSA-N
XLogP2.79
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.33
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[[2-oxo-2-(2,4,6-trimethylphenyl)ethyl]amino]propanoic acid
CID 82480575
2,2-dimethyl-N-[2-oxo-2-(2,4,6-trimethylphenyl)ethyl]propanamide
CID 82121737
2-(propan-2-ylamino)-N-[2-(2,4,6-trimethylphenyl)ethyl]acetamide
CID 115158305
3-methyl-1-(2,4,6-trimethylphenyl)hexan-1-one
CID 14871792
1-(2,4,6-trimethylphenyl)but-3-yn-1-one
CID 114962026
2-methoxy-1-(2,4,6-trimethylphenyl)ethanone
CID 15502799
N-(2,6-dibromo-4-methylphenyl)-2-(propan-2-ylamino)acetamide
CID 54917894
N-methyl-4-oxo-4-(2,4,6-trimethylphenyl)butanamide
CID 82116197
1-(6-methyl-1,3-benzodioxol-5-yl)-2-(propan-2-ylamino)ethanone
CID 116916687
1-(4-methoxy-2,3,5-trimethylphenyl)-2-(propan-2-ylamino)ethanone
CID 96675991
2-methyl-1-(2,4,6-trimethylphenyl)butan-1-one
CID 43159904
4-oxo-4-(2,4,6-trimethylphenyl)butanamide
CID 82079539

Frequently Asked Questions

What is the IUPAC name of 2-(propan-2-ylamino)-1-(2,4,6-trimethylphenyl)ethanone?
The IUPAC name of 2-(propan-2-ylamino)-1-(2,4,6-trimethylphenyl)ethanone (CID 82114243) is 2-(propan-2-ylamino)-1-(2,4,6-trimethylphenyl)ethanone.
What is the SMILES notation for 2-(propan-2-ylamino)-1-(2,4,6-trimethylphenyl)ethanone?
The canonical SMILES for 2-(propan-2-ylamino)-1-(2,4,6-trimethylphenyl)ethanone is Cc1cc(C)c(C(=O)CNC(C)C)c(C)c1.
What is the InChIKey of 2-(propan-2-ylamino)-1-(2,4,6-trimethylphenyl)ethanone?
The InChIKey is OJYJXFTVWQOQCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO/c1-9(2)15-8-13(16)14-11(4)6-10(3)7-12(14)5/h6-7,9,15H,8H2,1-5H3.
What are the key properties of 2-(propan-2-ylamino)-1-(2,4,6-trimethylphenyl)ethanone?
2-(propan-2-ylamino)-1-(2,4,6-trimethylphenyl)ethanone has a molecular weight of 219.33 g/mol, XLogP of 2.79, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(propan-2-ylamino)-1-(2,4,6-trimethylphenyl)ethanone is sourced from PubChem (CID 82114243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).