1-(2,5-dimethylphenyl)-2-[ethyl(2-methylbutyl)amino]ethanone

C17H27NO — CID 79476690

IUPAC1-(2,5-dimethylphenyl)-2-[ethyl(2-methylbutyl)amino]ethanone
SMILESCCC(C)CN(CC)CC(=O)c1cc(C)ccc1C
InChIInChI=1S/C17H27NO/c1-6-13(3)11-18(7-2)12-17(19)16-10-14(4)8-9-15(16)5/h8-10,13H,6-7,11-12H2,1-5H3
InChIKeyIZPNHARVCPFXAN-UHFFFAOYSA-N
MW261.41 g/mol
LogP3.85
Rot. Bonds7

About 1-(2,5-dimethylphenyl)-2-[ethyl(2-methylbutyl)amino]ethanone

1-(2,5-dimethylphenyl)-2-[ethyl(2-methylbutyl)amino]ethanone (PubChem CID 79476690) 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-methylbutyl)amino]ethanone.

Molecular Properties

Compound Name1-(2,5-dimethylphenyl)-2-[ethyl(2-methylbutyl)amino]ethanone
PubChem CID79476690
Molecular FormulaC17H27NO
Molecular Weight261.41 g/mol
Exact Mass261.21
IUPAC Name1-(2,5-dimethylphenyl)-2-[ethyl(2-methylbutyl)amino]ethanone
SMILESCCC(C)CN(CC)CC(=O)c1cc(C)ccc1C
InChIInChI=1S/C17H27NO/c1-6-13(3)11-18(7-2)12-17(19)16-10-14(4)8-9-15(16)5/h8-10,13H,6-7,11-12H2,1-5H3
InChIKeyIZPNHARVCPFXAN-UHFFFAOYSA-N
XLogP3.85
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
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

1-(2,5-dimethylphenyl)-2-[ethyl(2-ethylbutyl)amino]ethanone
CID 63565743
3-[[2-(2,5-dimethylphenyl)-2-oxoethyl]-ethylamino]-2-methylpropanenitrile
CID 62036198
2-[ethyl(2-methylbutyl)amino]-1-(4-methylphenyl)ethanone
CID 79477665
2-[ethyl(2-methylpropyl)amino]-1-(2,4,5-trimethylphenyl)ethanone
CID 43795911
1-(2,5-dimethylphenyl)-2-[methyl(pentan-2-yl)amino]ethanone
CID 43796904
2-[butyl(2-hydroxyethyl)amino]-1-(2,5-dimethylphenyl)ethanone
CID 62051512
1-(2,5-dimethylphenyl)-2-[methyl(2-methylbutan-2-yl)amino]ethanone
CID 63964640
N,N-diethyl-2,5-dimethylbenzamide
CID 15621070
2-[[2-(2,5-dimethylphenyl)-2-oxoethyl]-methylamino]acetic acid
CID 82476152
1-(2,5-dimethylphenyl)-2-(N-ethyl-4-fluoroanilino)ethanone
CID 63566838
2-chloro-1-(2,5-dimethylphenyl)ethanone
CID 2363693
2-[ethyl(2-methylpropyl)amino]-1-(2,4,6-trimethylphenyl)ethanone
CID 43795912

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dimethylphenyl)-2-[ethyl(2-methylbutyl)amino]ethanone?
The IUPAC name of 1-(2,5-dimethylphenyl)-2-[ethyl(2-methylbutyl)amino]ethanone (CID 79476690) is 1-(2,5-dimethylphenyl)-2-[ethyl(2-methylbutyl)amino]ethanone.
What is the SMILES notation for 1-(2,5-dimethylphenyl)-2-[ethyl(2-methylbutyl)amino]ethanone?
The canonical SMILES for 1-(2,5-dimethylphenyl)-2-[ethyl(2-methylbutyl)amino]ethanone is CCC(C)CN(CC)CC(=O)c1cc(C)ccc1C.
What is the InChIKey of 1-(2,5-dimethylphenyl)-2-[ethyl(2-methylbutyl)amino]ethanone?
The InChIKey is IZPNHARVCPFXAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO/c1-6-13(3)11-18(7-2)12-17(19)16-10-14(4)8-9-15(16)5/h8-10,13H,6-7,11-12H2,1-5H3.
What are the key properties of 1-(2,5-dimethylphenyl)-2-[ethyl(2-methylbutyl)amino]ethanone?
1-(2,5-dimethylphenyl)-2-[ethyl(2-methylbutyl)amino]ethanone has a molecular weight of 261.41 g/mol, XLogP of 3.85, 7 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-methylbutyl)amino]ethanone is sourced from PubChem (CID 79476690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).