2-[methyl(propan-2-yl)amino]-1-(2,4,5-trimethylphenyl)ethanone

C15H23NO — CID 43219755

IUPAC2-[methyl(propan-2-yl)amino]-1-(2,4,5-trimethylphenyl)ethanone
SMILESCc1cc(C)c(C(=O)CN(C)C(C)C)cc1C
InChIInChI=1S/C15H23NO/c1-10(2)16(6)9-15(17)14-8-12(4)11(3)7-13(14)5/h7-8,10H,9H2,1-6H3
InChIKeyIVWAYVAPEMZJQA-UHFFFAOYSA-N
MW233.35 g/mol
LogP3.13
Rot. Bonds4

About 2-[methyl(propan-2-yl)amino]-1-(2,4,5-trimethylphenyl)ethanone

2-[methyl(propan-2-yl)amino]-1-(2,4,5-trimethylphenyl)ethanone (PubChem CID 43219755) has the molecular formula C15H23NO and a molecular weight of 233.35 g/mol. Its IUPAC name is 2-[methyl(propan-2-yl)amino]-1-(2,4,5-trimethylphenyl)ethanone.

Molecular Properties

Compound Name2-[methyl(propan-2-yl)amino]-1-(2,4,5-trimethylphenyl)ethanone
PubChem CID43219755
Molecular FormulaC15H23NO
Molecular Weight233.35 g/mol
Exact Mass233.18
IUPAC Name2-[methyl(propan-2-yl)amino]-1-(2,4,5-trimethylphenyl)ethanone
SMILESCc1cc(C)c(C(=O)CN(C)C(C)C)cc1C
InChIInChI=1S/C15H23NO/c1-10(2)16(6)9-15(17)14-8-12(4)11(3)7-13(14)5/h7-8,10H,9H2,1-6H3
InChIKeyIVWAYVAPEMZJQA-UHFFFAOYSA-N
XLogP3.13
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.35
LogP ≤ 53.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-[methyl(3-methylbutan-2-yl)amino]-1-(2,4,5-trimethylphenyl)ethanone
CID 43796801
1-(2-methylphenyl)-2-[methyl(propan-2-yl)amino]ethanone
CID 43794597
2-[bis(2-methylpropyl)amino]-1-(2,4,5-trimethylphenyl)ethanone
CID 60649688
2-[ethyl(2-methylpropyl)amino]-1-(2,4,5-trimethylphenyl)ethanone
CID 43795911
2-(dipropylamino)-1-(2,4,5-trimethylphenyl)ethanone
CID 43219591
N-methyl-2-[methyl-[2-oxo-2-(2,4,5-trimethylphenyl)ethyl]amino]acetamide
CID 60680858
2-[3-(dimethylamino)propyl-methylamino]-1-(2,4,5-trimethylphenyl)ethanone
CID 63699719
1-(2-fluorophenyl)-2-[methyl(propan-2-yl)amino]ethanone
CID 43219744
2,3-dimethyl-1-(2,4,5-trimethylphenyl)butan-1-one
CID 114975790
1-(2,4,5-trimethylphenyl)butan-1-one
CID 55269935
1-(2,5-dimethylphenyl)-2-[methyl(pentan-2-yl)amino]ethanone
CID 43796904
3-amino-1-(2,4,5-trimethylphenyl)propan-1-one
CID 82281454

Frequently Asked Questions

What is the IUPAC name of 2-[methyl(propan-2-yl)amino]-1-(2,4,5-trimethylphenyl)ethanone?
The IUPAC name of 2-[methyl(propan-2-yl)amino]-1-(2,4,5-trimethylphenyl)ethanone (CID 43219755) is 2-[methyl(propan-2-yl)amino]-1-(2,4,5-trimethylphenyl)ethanone.
What is the SMILES notation for 2-[methyl(propan-2-yl)amino]-1-(2,4,5-trimethylphenyl)ethanone?
The canonical SMILES for 2-[methyl(propan-2-yl)amino]-1-(2,4,5-trimethylphenyl)ethanone is Cc1cc(C)c(C(=O)CN(C)C(C)C)cc1C.
What is the InChIKey of 2-[methyl(propan-2-yl)amino]-1-(2,4,5-trimethylphenyl)ethanone?
The InChIKey is IVWAYVAPEMZJQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO/c1-10(2)16(6)9-15(17)14-8-12(4)11(3)7-13(14)5/h7-8,10H,9H2,1-6H3.
What are the key properties of 2-[methyl(propan-2-yl)amino]-1-(2,4,5-trimethylphenyl)ethanone?
2-[methyl(propan-2-yl)amino]-1-(2,4,5-trimethylphenyl)ethanone has a molecular weight of 233.35 g/mol, XLogP of 3.13, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl(propan-2-yl)amino]-1-(2,4,5-trimethylphenyl)ethanone is sourced from PubChem (CID 43219755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).