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

C19H31NO — CID 60649688

IUPAC2-[bis(2-methylpropyl)amino]-1-(2,4,5-trimethylphenyl)ethanone
SMILESCc1cc(C)c(C(=O)CN(CC(C)C)CC(C)C)cc1C
InChIInChI=1S/C19H31NO/c1-13(2)10-20(11-14(3)4)12-19(21)18-9-16(6)15(5)8-17(18)7/h8-9,13-14H,10-12H2,1-7H3
InChIKeyOCCTXZUWXXLGFP-UHFFFAOYSA-N
MW289.46 g/mol
LogP4.41
Rot. Bonds7

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

2-[bis(2-methylpropyl)amino]-1-(2,4,5-trimethylphenyl)ethanone (PubChem CID 60649688) has the molecular formula C19H31NO and a molecular weight of 289.46 g/mol. Its IUPAC name is 2-[bis(2-methylpropyl)amino]-1-(2,4,5-trimethylphenyl)ethanone.

Molecular Properties

Compound Name2-[bis(2-methylpropyl)amino]-1-(2,4,5-trimethylphenyl)ethanone
PubChem CID60649688
Molecular FormulaC19H31NO
Molecular Weight289.46 g/mol
Exact Mass289.24
IUPAC Name2-[bis(2-methylpropyl)amino]-1-(2,4,5-trimethylphenyl)ethanone
SMILESCc1cc(C)c(C(=O)CN(CC(C)C)CC(C)C)cc1C
InChIInChI=1S/C19H31NO/c1-13(2)10-20(11-14(3)4)12-19(21)18-9-16(6)15(5)8-17(18)7/h8-9,13-14H,10-12H2,1-7H3
InChIKeyOCCTXZUWXXLGFP-UHFFFAOYSA-N
XLogP4.41
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.46
LogP ≤ 54.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-[ethyl(2-methylpropyl)amino]-1-(2,4,5-trimethylphenyl)ethanone
CID 43795911
2-[methyl(3-methylbutan-2-yl)amino]-1-(2,4,5-trimethylphenyl)ethanone
CID 43796801
2-[methyl(propan-2-yl)amino]-1-(2,4,5-trimethylphenyl)ethanone
CID 43219755
2-(dipropylamino)-1-(2,4,5-trimethylphenyl)ethanone
CID 43219591
2-[bis(2-methylpropyl)amino]-1-(2,5-dichlorothiophen-3-yl)ethanone
CID 63566808
2-[2-hydroxyethyl(propyl)amino]-1-(2,4,5-trimethylphenyl)ethanone
CID 62051328
2-[bis(2-methylpropyl)amino]-1-(4-hydroxyphenyl)ethanone
CID 60678370
2-[ethyl(2-methoxyethyl)amino]-1-(2,4,5-trimethylphenyl)ethanone
CID 61446805
2-[3-(dimethylamino)propyl-methylamino]-1-(2,4,5-trimethylphenyl)ethanone
CID 63699719
2-[[2-(2-methylphenyl)-2-oxoethyl]-(2-methylpropyl)amino]acetamide
CID 62035855
2-[ethyl(2-methylpropyl)amino]-1-(2,4,6-trimethylphenyl)ethanone
CID 43795912
1-(2,4,5-trimethylphenyl)butan-1-one
CID 55269935

Frequently Asked Questions

What is the IUPAC name of 2-[bis(2-methylpropyl)amino]-1-(2,4,5-trimethylphenyl)ethanone?
The IUPAC name of 2-[bis(2-methylpropyl)amino]-1-(2,4,5-trimethylphenyl)ethanone (CID 60649688) is 2-[bis(2-methylpropyl)amino]-1-(2,4,5-trimethylphenyl)ethanone.
What is the SMILES notation for 2-[bis(2-methylpropyl)amino]-1-(2,4,5-trimethylphenyl)ethanone?
The canonical SMILES for 2-[bis(2-methylpropyl)amino]-1-(2,4,5-trimethylphenyl)ethanone is Cc1cc(C)c(C(=O)CN(CC(C)C)CC(C)C)cc1C.
What is the InChIKey of 2-[bis(2-methylpropyl)amino]-1-(2,4,5-trimethylphenyl)ethanone?
The InChIKey is OCCTXZUWXXLGFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31NO/c1-13(2)10-20(11-14(3)4)12-19(21)18-9-16(6)15(5)8-17(18)7/h8-9,13-14H,10-12H2,1-7H3.
What are the key properties of 2-[bis(2-methylpropyl)amino]-1-(2,4,5-trimethylphenyl)ethanone?
2-[bis(2-methylpropyl)amino]-1-(2,4,5-trimethylphenyl)ethanone has a molecular weight of 289.46 g/mol, XLogP of 4.41, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[bis(2-methylpropyl)amino]-1-(2,4,5-trimethylphenyl)ethanone is sourced from PubChem (CID 60649688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).