2-[2-hydroxyethyl(propyl)amino]-1-(2,4,5-trimethylphenyl)ethanone

C16H25NO2 — CID 62051328

IUPAC2-[2-hydroxyethyl(propyl)amino]-1-(2,4,5-trimethylphenyl)ethanone
SMILESCCCN(CCO)CC(=O)c1cc(C)c(C)cc1C
InChIInChI=1S/C16H25NO2/c1-5-6-17(7-8-18)11-16(19)15-10-13(3)12(2)9-14(15)4/h9-10,18H,5-8,11H2,1-4H3
InChIKeyFXFGIDBHBANGBN-UHFFFAOYSA-N
MW263.38 g/mol
LogP2.50
Rot. Bonds7

About 2-[2-hydroxyethyl(propyl)amino]-1-(2,4,5-trimethylphenyl)ethanone

2-[2-hydroxyethyl(propyl)amino]-1-(2,4,5-trimethylphenyl)ethanone (PubChem CID 62051328) has the molecular formula C16H25NO2 and a molecular weight of 263.38 g/mol. Its IUPAC name is 2-[2-hydroxyethyl(propyl)amino]-1-(2,4,5-trimethylphenyl)ethanone.

Molecular Properties

Compound Name2-[2-hydroxyethyl(propyl)amino]-1-(2,4,5-trimethylphenyl)ethanone
PubChem CID62051328
Molecular FormulaC16H25NO2
Molecular Weight263.38 g/mol
Exact Mass263.19
IUPAC Name2-[2-hydroxyethyl(propyl)amino]-1-(2,4,5-trimethylphenyl)ethanone
SMILESCCCN(CCO)CC(=O)c1cc(C)c(C)cc1C
InChIInChI=1S/C16H25NO2/c1-5-6-17(7-8-18)11-16(19)15-10-13(3)12(2)9-14(15)4/h9-10,18H,5-8,11H2,1-4H3
InChIKeyFXFGIDBHBANGBN-UHFFFAOYSA-N
XLogP2.50
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(dipropylamino)-1-(2,4,5-trimethylphenyl)ethanone
CID 43219591
2-[butyl(2-hydroxyethyl)amino]-1-(2,5-dimethylphenyl)ethanone
CID 62051512
1-(2,5-dichlorothiophen-3-yl)-2-[2-hydroxyethyl(propyl)amino]ethanone
CID 62053273
2-[cyclopropyl(propyl)amino]-1-(2,4,5-trimethylphenyl)ethanone
CID 43795545
2-[ethyl(2-methoxyethyl)amino]-1-(2,4,5-trimethylphenyl)ethanone
CID 61446805
2-[cyclopropyl(2-hydroxyethyl)amino]-1-(2,4,5-trimethylphenyl)ethanone
CID 62029955
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
1-(2,4,5-trimethylphenyl)butan-1-one
CID 55269935
2-[[2-(2,4-dimethylphenyl)-2-oxoethyl]-propylamino]-N,N-dimethylacetamide
CID 62031117
2-[methyl(propan-2-yl)amino]-1-(2,4,5-trimethylphenyl)ethanone
CID 43219755
1-(furan-2-yl)-2-[2-hydroxyethyl(propyl)amino]ethanone
CID 62053466

Frequently Asked Questions

What is the IUPAC name of 2-[2-hydroxyethyl(propyl)amino]-1-(2,4,5-trimethylphenyl)ethanone?
The IUPAC name of 2-[2-hydroxyethyl(propyl)amino]-1-(2,4,5-trimethylphenyl)ethanone (CID 62051328) is 2-[2-hydroxyethyl(propyl)amino]-1-(2,4,5-trimethylphenyl)ethanone.
What is the SMILES notation for 2-[2-hydroxyethyl(propyl)amino]-1-(2,4,5-trimethylphenyl)ethanone?
The canonical SMILES for 2-[2-hydroxyethyl(propyl)amino]-1-(2,4,5-trimethylphenyl)ethanone is CCCN(CCO)CC(=O)c1cc(C)c(C)cc1C.
What is the InChIKey of 2-[2-hydroxyethyl(propyl)amino]-1-(2,4,5-trimethylphenyl)ethanone?
The InChIKey is FXFGIDBHBANGBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO2/c1-5-6-17(7-8-18)11-16(19)15-10-13(3)12(2)9-14(15)4/h9-10,18H,5-8,11H2,1-4H3.
What are the key properties of 2-[2-hydroxyethyl(propyl)amino]-1-(2,4,5-trimethylphenyl)ethanone?
2-[2-hydroxyethyl(propyl)amino]-1-(2,4,5-trimethylphenyl)ethanone has a molecular weight of 263.38 g/mol, XLogP of 2.50, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-hydroxyethyl(propyl)amino]-1-(2,4,5-trimethylphenyl)ethanone is sourced from PubChem (CID 62051328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).