2-[1-hydroxypropan-2-yl(methyl)amino]-1-(4-propan-2-ylphenyl)ethanone

C15H23NO2 — CID 104552733

IUPAC2-[1-hydroxypropan-2-yl(methyl)amino]-1-(4-propan-2-ylphenyl)ethanone
SMILESCC(C)c1ccc(C(=O)CN(C)C(C)CO)cc1
InChIInChI=1S/C15H23NO2/c1-11(2)13-5-7-14(8-6-13)15(18)9-16(4)12(3)10-17/h5-8,11-12,17H,9-10H2,1-4H3
InChIKeyIDJBRRICCPXIIB-UHFFFAOYSA-N
MW249.35 g/mol
LogP2.31
Rot. Bonds6

About 2-[1-hydroxypropan-2-yl(methyl)amino]-1-(4-propan-2-ylphenyl)ethanone

2-[1-hydroxypropan-2-yl(methyl)amino]-1-(4-propan-2-ylphenyl)ethanone (PubChem CID 104552733) has the molecular formula C15H23NO2 and a molecular weight of 249.35 g/mol. Its IUPAC name is 2-[1-hydroxypropan-2-yl(methyl)amino]-1-(4-propan-2-ylphenyl)ethanone.

Molecular Properties

Compound Name2-[1-hydroxypropan-2-yl(methyl)amino]-1-(4-propan-2-ylphenyl)ethanone
PubChem CID104552733
Molecular FormulaC15H23NO2
Molecular Weight249.35 g/mol
Exact Mass249.17
IUPAC Name2-[1-hydroxypropan-2-yl(methyl)amino]-1-(4-propan-2-ylphenyl)ethanone
SMILESCC(C)c1ccc(C(=O)CN(C)C(C)CO)cc1
InChIInChI=1S/C15H23NO2/c1-11(2)13-5-7-14(8-6-13)15(18)9-16(4)12(3)10-17/h5-8,11-12,17H,9-10H2,1-4H3
InChIKeyIDJBRRICCPXIIB-UHFFFAOYSA-N
XLogP2.31
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.35
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[1-hydroxypropan-2-yl(methyl)amino]-N-(4-propan-2-ylphenyl)acetamide
CID 115772236
2-[ethyl(propan-2-yl)amino]-1-(4-propan-2-ylphenyl)ethanone
CID 43795097
2-[2-hydroxyethyl(propan-2-yl)amino]-1-(4-propan-2-ylphenyl)ethanone
CID 62030140
3-[methyl-[2-oxo-2-(4-propan-2-ylphenyl)ethyl]amino]propanoic acid
CID 82136248
1,4-bis(4-propan-2-ylphenyl)butane-1,4-dione
CID 166515280
2-[(2-amino-2-oxoethyl)-[2-oxo-2-(4-propan-2-ylphenyl)ethyl]amino]acetamide
CID 62923142
2-(N,4-dimethylanilino)-1-(4-propan-2-ylphenyl)ethanone
CID 63567372
2-[3-(dimethylamino)propyl-ethylamino]-1-(4-propan-2-ylphenyl)ethanone
CID 102995078
2-[1-(4-chlorophenyl)ethyl-methylamino]-1-(4-hydroxyphenyl)ethanone
CID 62980072
3-[[2-oxo-2-(4-propan-2-ylphenyl)ethyl]-propan-2-ylamino]propanenitrile
CID 62035638
1,5-bis(4-propan-2-ylphenyl)pentane-1,5-dione
CID 23512927
2-[cyclopropyl(2-hydroxyethyl)amino]-1-(4-propan-2-ylphenyl)ethanone
CID 62031291

Frequently Asked Questions

What is the IUPAC name of 2-[1-hydroxypropan-2-yl(methyl)amino]-1-(4-propan-2-ylphenyl)ethanone?
The IUPAC name of 2-[1-hydroxypropan-2-yl(methyl)amino]-1-(4-propan-2-ylphenyl)ethanone (CID 104552733) is 2-[1-hydroxypropan-2-yl(methyl)amino]-1-(4-propan-2-ylphenyl)ethanone.
What is the SMILES notation for 2-[1-hydroxypropan-2-yl(methyl)amino]-1-(4-propan-2-ylphenyl)ethanone?
The canonical SMILES for 2-[1-hydroxypropan-2-yl(methyl)amino]-1-(4-propan-2-ylphenyl)ethanone is CC(C)c1ccc(C(=O)CN(C)C(C)CO)cc1.
What is the InChIKey of 2-[1-hydroxypropan-2-yl(methyl)amino]-1-(4-propan-2-ylphenyl)ethanone?
The InChIKey is IDJBRRICCPXIIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO2/c1-11(2)13-5-7-14(8-6-13)15(18)9-16(4)12(3)10-17/h5-8,11-12,17H,9-10H2,1-4H3.
What are the key properties of 2-[1-hydroxypropan-2-yl(methyl)amino]-1-(4-propan-2-ylphenyl)ethanone?
2-[1-hydroxypropan-2-yl(methyl)amino]-1-(4-propan-2-ylphenyl)ethanone has a molecular weight of 249.35 g/mol, XLogP of 2.31, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-hydroxypropan-2-yl(methyl)amino]-1-(4-propan-2-ylphenyl)ethanone is sourced from PubChem (CID 104552733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).