2-(dimethylamino)-1-(2,5-dimethylphenyl)propan-1-one

C13H19NO — CID 43794767

IUPAC2-(dimethylamino)-1-(2,5-dimethylphenyl)propan-1-one
SMILESCc1ccc(C)c(C(=O)C(C)N(C)C)c1
InChIInChI=1S/C13H19NO/c1-9-6-7-10(2)12(8-9)13(15)11(3)14(4)5/h6-8,11H,1-5H3
InChIKeyYQPNQYLUGNCSSD-UHFFFAOYSA-N
MW205.30 g/mol
LogP2.44
Rot. Bonds3

About 2-(dimethylamino)-1-(2,5-dimethylphenyl)propan-1-one

2-(dimethylamino)-1-(2,5-dimethylphenyl)propan-1-one (PubChem CID 43794767) has the molecular formula C13H19NO and a molecular weight of 205.30 g/mol. Its IUPAC name is 2-(dimethylamino)-1-(2,5-dimethylphenyl)propan-1-one.

Molecular Properties

Compound Name2-(dimethylamino)-1-(2,5-dimethylphenyl)propan-1-one
PubChem CID43794767
Molecular FormulaC13H19NO
Molecular Weight205.30 g/mol
Exact Mass205.15
IUPAC Name2-(dimethylamino)-1-(2,5-dimethylphenyl)propan-1-one
SMILESCc1ccc(C)c(C(=O)C(C)N(C)C)c1
InChIInChI=1S/C13H19NO/c1-9-6-7-10(2)12(8-9)13(15)11(3)14(4)5/h6-8,11H,1-5H3
InChIKeyYQPNQYLUGNCSSD-UHFFFAOYSA-N
XLogP2.44
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.30
LogP ≤ 52.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2,5-dimethylphenyl)-2-[2-methoxyethyl(methyl)amino]propan-1-one
CID 61427717
3-[[1-(2,5-dimethylphenyl)-1-oxopropan-2-yl]-methylamino]butanenitrile
CID 63223033
1-(2,5-dimethylphenyl)-2-[ethyl(2-methylpropyl)amino]propan-1-one
CID 43795907
2-[[1-(2,5-dimethylphenyl)-1-oxopropan-2-yl]-methylamino]-N-propan-2-ylacetamide
CID 60681587
1-(2,5-dimethylphenyl)-2-[methyl-[(2-methylfuran-3-yl)methyl]amino]propan-1-one
CID 62035271
1-(2,5-dimethylphenyl)-2-[methyl-[(4-methyl-1,3-thiazol-5-yl)methyl]amino]propan-1-one
CID 63837669
ethyl (2S)-3-(2,5-dimethylphenyl)-2-methyl-3-oxopropanoate
CID 97035574
1-(2,5-dimethylphenyl)-2-[methyl-(1-methylpiperidin-3-yl)amino]propan-1-one
CID 62547330
1-(2,5-dimethylphenyl)-2-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]propan-1-one
CID 79310466
1-(2,5-dimethylphenyl)-2-propylsulfinylpropan-1-one
CID 64640081
2-(aminomethyl)-1-(2,5-dimethylphenyl)butan-1-one
CID 116575283
methyl 2-chloro-3-(2,5-dimethylphenyl)-3-oxopropanoate
CID 82477379

Frequently Asked Questions

What is the IUPAC name of 2-(dimethylamino)-1-(2,5-dimethylphenyl)propan-1-one?
The IUPAC name of 2-(dimethylamino)-1-(2,5-dimethylphenyl)propan-1-one (CID 43794767) is 2-(dimethylamino)-1-(2,5-dimethylphenyl)propan-1-one.
What is the SMILES notation for 2-(dimethylamino)-1-(2,5-dimethylphenyl)propan-1-one?
The canonical SMILES for 2-(dimethylamino)-1-(2,5-dimethylphenyl)propan-1-one is Cc1ccc(C)c(C(=O)C(C)N(C)C)c1.
What is the InChIKey of 2-(dimethylamino)-1-(2,5-dimethylphenyl)propan-1-one?
The InChIKey is YQPNQYLUGNCSSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO/c1-9-6-7-10(2)12(8-9)13(15)11(3)14(4)5/h6-8,11H,1-5H3.
What are the key properties of 2-(dimethylamino)-1-(2,5-dimethylphenyl)propan-1-one?
2-(dimethylamino)-1-(2,5-dimethylphenyl)propan-1-one has a molecular weight of 205.30 g/mol, XLogP of 2.44, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dimethylamino)-1-(2,5-dimethylphenyl)propan-1-one is sourced from PubChem (CID 43794767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).