1-(2,5-dimethylphenyl)-2-[ethyl(2-methylpropyl)amino]propan-1-one

C17H27NO — CID 43795907

IUPAC1-(2,5-dimethylphenyl)-2-[ethyl(2-methylpropyl)amino]propan-1-one
SMILESCCN(CC(C)C)C(C)C(=O)c1cc(C)ccc1C
InChIInChI=1S/C17H27NO/c1-7-18(11-12(2)3)15(6)17(19)16-10-13(4)8-9-14(16)5/h8-10,12,15H,7,11H2,1-6H3
InChIKeySUTYSDRBURJTKR-UHFFFAOYSA-N
MW261.41 g/mol
LogP3.85
Rot. Bonds6

About 1-(2,5-dimethylphenyl)-2-[ethyl(2-methylpropyl)amino]propan-1-one

1-(2,5-dimethylphenyl)-2-[ethyl(2-methylpropyl)amino]propan-1-one (PubChem CID 43795907) has the molecular formula C17H27NO and a molecular weight of 261.41 g/mol. Its IUPAC name is 1-(2,5-dimethylphenyl)-2-[ethyl(2-methylpropyl)amino]propan-1-one.

Molecular Properties

Compound Name1-(2,5-dimethylphenyl)-2-[ethyl(2-methylpropyl)amino]propan-1-one
PubChem CID43795907
Molecular FormulaC17H27NO
Molecular Weight261.41 g/mol
Exact Mass261.21
IUPAC Name1-(2,5-dimethylphenyl)-2-[ethyl(2-methylpropyl)amino]propan-1-one
SMILESCCN(CC(C)C)C(C)C(=O)c1cc(C)ccc1C
InChIInChI=1S/C17H27NO/c1-7-18(11-12(2)3)15(6)17(19)16-10-13(4)8-9-14(16)5/h8-10,12,15H,7,11H2,1-6H3
InChIKeySUTYSDRBURJTKR-UHFFFAOYSA-N
XLogP3.85
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.41
LogP ≤ 53.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(dimethylamino)-1-(2,5-dimethylphenyl)propan-1-one
CID 43794767
1-(2,5-dimethylphenyl)-2-[ethyl(oxolan-2-ylmethyl)amino]propan-1-one
CID 61434392
3-[[1-(2,5-dimethylphenyl)-1-oxopropan-2-yl]-methylamino]butanenitrile
CID 63223033
1-(2,5-dimethylphenyl)-2-[2-methoxyethyl(methyl)amino]propan-1-one
CID 61427717
ethyl (2S)-3-(2,5-dimethylphenyl)-2-methyl-3-oxopropanoate
CID 97035574
2-[[1-(2,5-dimethylphenyl)-1-oxopropan-2-yl]-methylamino]-N-propan-2-ylacetamide
CID 60681587
N,N-diethyl-2,5-dimethylbenzamide
CID 15621070
1-(2,5-dimethylphenyl)-2-propylsulfinylpropan-1-one
CID 64640081
2-(aminomethyl)-1-(2,5-dimethylphenyl)butan-1-one
CID 116575283
1-(2,5-dimethylphenyl)-2-[ethyl(2-methylbutyl)amino]ethanone
CID 79476690
1-(2,5-dimethylphenyl)-2-[methyl-[(2-methylfuran-3-yl)methyl]amino]propan-1-one
CID 62035271
1-(2,5-dimethylphenyl)-2-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]propan-1-one
CID 79310466

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dimethylphenyl)-2-[ethyl(2-methylpropyl)amino]propan-1-one?
The IUPAC name of 1-(2,5-dimethylphenyl)-2-[ethyl(2-methylpropyl)amino]propan-1-one (CID 43795907) is 1-(2,5-dimethylphenyl)-2-[ethyl(2-methylpropyl)amino]propan-1-one.
What is the SMILES notation for 1-(2,5-dimethylphenyl)-2-[ethyl(2-methylpropyl)amino]propan-1-one?
The canonical SMILES for 1-(2,5-dimethylphenyl)-2-[ethyl(2-methylpropyl)amino]propan-1-one is CCN(CC(C)C)C(C)C(=O)c1cc(C)ccc1C.
What is the InChIKey of 1-(2,5-dimethylphenyl)-2-[ethyl(2-methylpropyl)amino]propan-1-one?
The InChIKey is SUTYSDRBURJTKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO/c1-7-18(11-12(2)3)15(6)17(19)16-10-13(4)8-9-14(16)5/h8-10,12,15H,7,11H2,1-6H3.
What are the key properties of 1-(2,5-dimethylphenyl)-2-[ethyl(2-methylpropyl)amino]propan-1-one?
1-(2,5-dimethylphenyl)-2-[ethyl(2-methylpropyl)amino]propan-1-one has a molecular weight of 261.41 g/mol, XLogP of 3.85, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dimethylphenyl)-2-[ethyl(2-methylpropyl)amino]propan-1-one is sourced from PubChem (CID 43795907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).