2-[methyl(2-methylbutyl)amino]-1-(2,4,6-trimethylphenyl)ethanone

C17H27NO — CID 43796188

IUPAC2-[methyl(2-methylbutyl)amino]-1-(2,4,6-trimethylphenyl)ethanone
SMILESCCC(C)CN(C)CC(=O)c1c(C)cc(C)cc1C
InChIInChI=1S/C17H27NO/c1-7-12(2)10-18(6)11-16(19)17-14(4)8-13(3)9-15(17)5/h8-9,12H,7,10-11H2,1-6H3
InChIKeyPEVSKABXTGALGE-UHFFFAOYSA-N
MW261.41 g/mol
LogP3.77
Rot. Bonds6

About 2-[methyl(2-methylbutyl)amino]-1-(2,4,6-trimethylphenyl)ethanone

2-[methyl(2-methylbutyl)amino]-1-(2,4,6-trimethylphenyl)ethanone (PubChem CID 43796188) has the molecular formula C17H27NO and a molecular weight of 261.41 g/mol. Its IUPAC name is 2-[methyl(2-methylbutyl)amino]-1-(2,4,6-trimethylphenyl)ethanone.

Molecular Properties

Compound Name2-[methyl(2-methylbutyl)amino]-1-(2,4,6-trimethylphenyl)ethanone
PubChem CID43796188
Molecular FormulaC17H27NO
Molecular Weight261.41 g/mol
Exact Mass261.21
IUPAC Name2-[methyl(2-methylbutyl)amino]-1-(2,4,6-trimethylphenyl)ethanone
SMILESCCC(C)CN(C)CC(=O)c1c(C)cc(C)cc1C
InChIInChI=1S/C17H27NO/c1-7-12(2)10-18(6)11-16(19)17-14(4)8-13(3)9-15(17)5/h8-9,12H,7,10-11H2,1-6H3
InChIKeyPEVSKABXTGALGE-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-[ethyl(2-methylpropyl)amino]-1-(2,4,6-trimethylphenyl)ethanone
CID 43795912
3-methyl-1-(2,4,6-trimethylphenyl)hexan-1-one
CID 14871792
1-(4-hydroxyphenyl)-2-[methyl(2-methylbutyl)amino]ethanone
CID 43796166
1-(4-iodophenyl)-2-[methyl(2-methylbutyl)amino]ethanone
CID 43796160
1-(3-chlorophenyl)-2-[methyl(2-methylbutyl)amino]ethanone
CID 43796175
2-[(5-chlorothiophen-2-yl)methyl-methylamino]-1-(2,4,6-trimethylphenyl)ethanone
CID 63565774
1-(3-methoxyphenyl)-2-[methyl(2-methylbutyl)amino]ethanone
CID 43796154
2-[ethyl(propyl)amino]-1-(2,4,6-trimethylphenyl)ethanone
CID 43795362
2-[(4-bromothiophen-2-yl)methyl-methylamino]-1-(2,4,6-trimethylphenyl)ethanone
CID 63566486
2-methyl-1-(2,4,6-trimethylphenyl)butan-1-one
CID 43159904
2-[methyl-[(2-methyl-1,3-thiazol-4-yl)methyl]amino]-1-(2,4,6-trimethylphenyl)ethanone
CID 62051275
2-[methyl(2-methylbutyl)amino]-1-(4-nitro-1H-pyrrol-2-yl)ethanone
CID 43796134

Frequently Asked Questions

What is the IUPAC name of 2-[methyl(2-methylbutyl)amino]-1-(2,4,6-trimethylphenyl)ethanone?
The IUPAC name of 2-[methyl(2-methylbutyl)amino]-1-(2,4,6-trimethylphenyl)ethanone (CID 43796188) is 2-[methyl(2-methylbutyl)amino]-1-(2,4,6-trimethylphenyl)ethanone.
What is the SMILES notation for 2-[methyl(2-methylbutyl)amino]-1-(2,4,6-trimethylphenyl)ethanone?
The canonical SMILES for 2-[methyl(2-methylbutyl)amino]-1-(2,4,6-trimethylphenyl)ethanone is CCC(C)CN(C)CC(=O)c1c(C)cc(C)cc1C.
What is the InChIKey of 2-[methyl(2-methylbutyl)amino]-1-(2,4,6-trimethylphenyl)ethanone?
The InChIKey is PEVSKABXTGALGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO/c1-7-12(2)10-18(6)11-16(19)17-14(4)8-13(3)9-15(17)5/h8-9,12H,7,10-11H2,1-6H3.
What are the key properties of 2-[methyl(2-methylbutyl)amino]-1-(2,4,6-trimethylphenyl)ethanone?
2-[methyl(2-methylbutyl)amino]-1-(2,4,6-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-[methyl(2-methylbutyl)amino]-1-(2,4,6-trimethylphenyl)ethanone is sourced from PubChem (CID 43796188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).