1-[5-(dimethylamino)-2-methylphenyl]ethanone

C11H15NO — CID 54505937

IUPAC1-[5-(dimethylamino)-2-methylphenyl]ethanone
SMILESCC(=O)c1cc(N(C)C)ccc1C
InChIInChI=1S/C11H15NO/c1-8-5-6-10(12(3)4)7-11(8)9(2)13/h5-7H,1-4H3
InChIKeyYFRSKRCHXDBNBD-UHFFFAOYSA-N
MW177.25 g/mol
LogP2.26
Rot. Bonds2

About 1-[5-(dimethylamino)-2-methylphenyl]ethanone

1-[5-(dimethylamino)-2-methylphenyl]ethanone (PubChem CID 54505937) has the molecular formula C11H15NO and a molecular weight of 177.25 g/mol. Its IUPAC name is 1-[5-(dimethylamino)-2-methylphenyl]ethanone.

Molecular Properties

Compound Name1-[5-(dimethylamino)-2-methylphenyl]ethanone
PubChem CID54505937
Molecular FormulaC11H15NO
Molecular Weight177.25 g/mol
Exact Mass177.12
IUPAC Name1-[5-(dimethylamino)-2-methylphenyl]ethanone
SMILESCC(=O)c1cc(N(C)C)ccc1C
InChIInChI=1S/C11H15NO/c1-8-5-6-10(12(3)4)7-11(8)9(2)13/h5-7H,1-4H3
InChIKeyYFRSKRCHXDBNBD-UHFFFAOYSA-N
XLogP2.26
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.25
LogP ≤ 52.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-[2-[2-acetyl-4-(dimethylamino)phenyl]-5-(dimethylamino)phenyl]ethanone
CID 171781093
1-[5-(dimethylamino)-2-methylphenyl]-2,2-dimethylpropan-1-one
CID 23385533
N-[2-acetyl-4-(dimethylamino)phenyl]acetamide
CID 15087824
1-[3-acetyl-2-chloro-5-(dimethylamino)phenyl]ethanone
CID 15156691
N,N,3,4-tetramethylaniline
CID 12595466
1-[5-(dimethylamino)-1H-indol-3-yl]ethanone
CID 82397112
1-[4-(dimethylamino)-2-methylphenyl]-2,2-dimethylpropan-1-one
CID 23385530
1-(5-ethylsulfonyl-2-methylphenyl)ethanone
CID 162730827
1-[2-acetyl-4-[4-(3-acetyl-4-methylphenyl)phenyl]phenyl]ethanone
CID 143811695
3-iodo-N,N,4-trimethylaniline
CID 68650106
[5-(dimethylamino)-2-methylphenyl]boronic acid
CID 23005372
1-[6-(dimethylamino)naphthalen-2-yl]ethanone
CID 15333970

Frequently Asked Questions

What is the IUPAC name of 1-[5-(dimethylamino)-2-methylphenyl]ethanone?
The IUPAC name of 1-[5-(dimethylamino)-2-methylphenyl]ethanone (CID 54505937) is 1-[5-(dimethylamino)-2-methylphenyl]ethanone.
What is the SMILES notation for 1-[5-(dimethylamino)-2-methylphenyl]ethanone?
The canonical SMILES for 1-[5-(dimethylamino)-2-methylphenyl]ethanone is CC(=O)c1cc(N(C)C)ccc1C.
What is the InChIKey of 1-[5-(dimethylamino)-2-methylphenyl]ethanone?
The InChIKey is YFRSKRCHXDBNBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO/c1-8-5-6-10(12(3)4)7-11(8)9(2)13/h5-7H,1-4H3.
What are the key properties of 1-[5-(dimethylamino)-2-methylphenyl]ethanone?
1-[5-(dimethylamino)-2-methylphenyl]ethanone has a molecular weight of 177.25 g/mol, XLogP of 2.26, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(dimethylamino)-2-methylphenyl]ethanone is sourced from PubChem (CID 54505937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).