2-[ethyl(2-methylpropyl)amino]-1-(2,4,5-trimethylphenyl)ethanone

C17H27NO — CID 43795911

IUPAC2-[ethyl(2-methylpropyl)amino]-1-(2,4,5-trimethylphenyl)ethanone
SMILESCCN(CC(=O)c1cc(C)c(C)cc1C)CC(C)C
InChIInChI=1S/C17H27NO/c1-7-18(10-12(2)3)11-17(19)16-9-14(5)13(4)8-15(16)6/h8-9,12H,7,10-11H2,1-6H3
InChIKeyQJYDKQIFICTSSS-UHFFFAOYSA-N
MW261.41 g/mol
LogP3.77
Rot. Bonds6

About 2-[ethyl(2-methylpropyl)amino]-1-(2,4,5-trimethylphenyl)ethanone

2-[ethyl(2-methylpropyl)amino]-1-(2,4,5-trimethylphenyl)ethanone (PubChem CID 43795911) has the molecular formula C17H27NO and a molecular weight of 261.41 g/mol. Its IUPAC name is 2-[ethyl(2-methylpropyl)amino]-1-(2,4,5-trimethylphenyl)ethanone.

Molecular Properties

Compound Name2-[ethyl(2-methylpropyl)amino]-1-(2,4,5-trimethylphenyl)ethanone
PubChem CID43795911
Molecular FormulaC17H27NO
Molecular Weight261.41 g/mol
Exact Mass261.21
IUPAC Name2-[ethyl(2-methylpropyl)amino]-1-(2,4,5-trimethylphenyl)ethanone
SMILESCCN(CC(=O)c1cc(C)c(C)cc1C)CC(C)C
InChIInChI=1S/C17H27NO/c1-7-18(10-12(2)3)11-17(19)16-9-14(5)13(4)8-15(16)6/h8-9,12H,7,10-11H2,1-6H3
InChIKeyQJYDKQIFICTSSS-UHFFFAOYSA-N
XLogP3.77
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 ≤ 53.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-[bis(2-methylpropyl)amino]-1-(2,4,5-trimethylphenyl)ethanone
CID 60649688
2-[ethyl(2-methylpropyl)amino]-1-(2,4,6-trimethylphenyl)ethanone
CID 43795912
2-(dipropylamino)-1-(2,4,5-trimethylphenyl)ethanone
CID 43219591
2-[ethyl(2-methoxyethyl)amino]-1-(2,4,5-trimethylphenyl)ethanone
CID 61446805
1-(2,5-dibromothiophen-3-yl)-2-[ethyl(2-methylpropyl)amino]ethanone
CID 43795861
2-[methyl(propan-2-yl)amino]-1-(2,4,5-trimethylphenyl)ethanone
CID 43219755
1-(2,5-dimethylphenyl)-2-[ethyl(2-methylbutyl)amino]ethanone
CID 79476690
2-[methyl(3-methylbutan-2-yl)amino]-1-(2,4,5-trimethylphenyl)ethanone
CID 43796801
2-[2-hydroxyethyl(propyl)amino]-1-(2,4,5-trimethylphenyl)ethanone
CID 62051328
2-[ethyl(thiophen-2-ylmethyl)amino]-1-(2,4,5-trimethylphenyl)ethanone
CID 62036551
1-(2,5-dimethylphenyl)-2-[ethyl(2-ethylbutyl)amino]ethanone
CID 63565743
3-[[2-(2,5-dimethylphenyl)-2-oxoethyl]-ethylamino]-2-methylpropanenitrile
CID 62036198

Frequently Asked Questions

What is the IUPAC name of 2-[ethyl(2-methylpropyl)amino]-1-(2,4,5-trimethylphenyl)ethanone?
The IUPAC name of 2-[ethyl(2-methylpropyl)amino]-1-(2,4,5-trimethylphenyl)ethanone (CID 43795911) is 2-[ethyl(2-methylpropyl)amino]-1-(2,4,5-trimethylphenyl)ethanone.
What is the SMILES notation for 2-[ethyl(2-methylpropyl)amino]-1-(2,4,5-trimethylphenyl)ethanone?
The canonical SMILES for 2-[ethyl(2-methylpropyl)amino]-1-(2,4,5-trimethylphenyl)ethanone is CCN(CC(=O)c1cc(C)c(C)cc1C)CC(C)C.
What is the InChIKey of 2-[ethyl(2-methylpropyl)amino]-1-(2,4,5-trimethylphenyl)ethanone?
The InChIKey is QJYDKQIFICTSSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO/c1-7-18(10-12(2)3)11-17(19)16-9-14(5)13(4)8-15(16)6/h8-9,12H,7,10-11H2,1-6H3.
What are the key properties of 2-[ethyl(2-methylpropyl)amino]-1-(2,4,5-trimethylphenyl)ethanone?
2-[ethyl(2-methylpropyl)amino]-1-(2,4,5-trimethylphenyl)ethanone has a molecular weight of 261.41 g/mol, XLogP of 3.77, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[ethyl(2-methylpropyl)amino]-1-(2,4,5-trimethylphenyl)ethanone is sourced from PubChem (CID 43795911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).