3-[ethyl-(2-hydroxy-2-methylpropyl)amino]-1-(2-methylphenyl)propan-1-one

C16H25NO2 — CID 79379927

IUPAC3-[ethyl-(2-hydroxy-2-methylpropyl)amino]-1-(2-methylphenyl)propan-1-one
SMILESCCN(CCC(=O)c1ccccc1C)CC(C)(C)O
InChIInChI=1S/C16H25NO2/c1-5-17(12-16(3,4)19)11-10-15(18)14-9-7-6-8-13(14)2/h6-9,19H,5,10-12H2,1-4H3
InChIKeyGBBVQSLUQHCUOW-UHFFFAOYSA-N
MW263.38 g/mol
LogP2.66
Rot. Bonds7

About 3-[ethyl-(2-hydroxy-2-methylpropyl)amino]-1-(2-methylphenyl)propan-1-one

3-[ethyl-(2-hydroxy-2-methylpropyl)amino]-1-(2-methylphenyl)propan-1-one (PubChem CID 79379927) has the molecular formula C16H25NO2 and a molecular weight of 263.38 g/mol. Its IUPAC name is 3-[ethyl-(2-hydroxy-2-methylpropyl)amino]-1-(2-methylphenyl)propan-1-one.

Molecular Properties

Compound Name3-[ethyl-(2-hydroxy-2-methylpropyl)amino]-1-(2-methylphenyl)propan-1-one
PubChem CID79379927
Molecular FormulaC16H25NO2
Molecular Weight263.38 g/mol
Exact Mass263.19
IUPAC Name3-[ethyl-(2-hydroxy-2-methylpropyl)amino]-1-(2-methylphenyl)propan-1-one
SMILESCCN(CCC(=O)c1ccccc1C)CC(C)(C)O
InChIInChI=1S/C16H25NO2/c1-5-17(12-16(3,4)19)11-10-15(18)14-9-7-6-8-13(14)2/h6-9,19H,5,10-12H2,1-4H3
InChIKeyGBBVQSLUQHCUOW-UHFFFAOYSA-N
XLogP2.66
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 ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[ethyl(2-methylbutyl)amino]-1-(2-methylphenyl)propan-1-one
CID 79481123
1-(2-bromophenyl)-2-[ethyl-(2-hydroxy-2-methylpropyl)amino]ethanone
CID 79390464
3-[butyl(ethyl)amino]-1-(2-fluorophenyl)propan-1-one
CID 62618359
N-(2,6-dimethylphenyl)-2-[ethyl-(2-hydroxy-2-methylpropyl)amino]acetamide
CID 78963573
methyl 3-[ethyl-(2-hydroxy-2-methylpropyl)amino]propanoate
CID 62026400
1-(2-methylphenyl)undecan-1-one
CID 63409592
1-(2-methylphenyl)nonan-1-one
CID 63409672
1-[ethyl(3-phenylpropyl)amino]-2-methylpropan-2-ol
CID 78962338
3-[3-(dimethylamino)propyl-ethylamino]-1-(2-fluorophenyl)propan-1-one
CID 102997005
2-hydroxy-2-methyl-4-(2-methylphenyl)-4-oxobutanoic acid
CID 131852163
ethyl 4-(2-methylphenyl)-4-oxobutanoate
CID 24727317
3-[cyclopropylmethyl(ethyl)amino]-1-(2-fluorophenyl)propan-1-one
CID 63956709

Frequently Asked Questions

What is the IUPAC name of 3-[ethyl-(2-hydroxy-2-methylpropyl)amino]-1-(2-methylphenyl)propan-1-one?
The IUPAC name of 3-[ethyl-(2-hydroxy-2-methylpropyl)amino]-1-(2-methylphenyl)propan-1-one (CID 79379927) is 3-[ethyl-(2-hydroxy-2-methylpropyl)amino]-1-(2-methylphenyl)propan-1-one.
What is the SMILES notation for 3-[ethyl-(2-hydroxy-2-methylpropyl)amino]-1-(2-methylphenyl)propan-1-one?
The canonical SMILES for 3-[ethyl-(2-hydroxy-2-methylpropyl)amino]-1-(2-methylphenyl)propan-1-one is CCN(CCC(=O)c1ccccc1C)CC(C)(C)O.
What is the InChIKey of 3-[ethyl-(2-hydroxy-2-methylpropyl)amino]-1-(2-methylphenyl)propan-1-one?
The InChIKey is GBBVQSLUQHCUOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO2/c1-5-17(12-16(3,4)19)11-10-15(18)14-9-7-6-8-13(14)2/h6-9,19H,5,10-12H2,1-4H3.
What are the key properties of 3-[ethyl-(2-hydroxy-2-methylpropyl)amino]-1-(2-methylphenyl)propan-1-one?
3-[ethyl-(2-hydroxy-2-methylpropyl)amino]-1-(2-methylphenyl)propan-1-one has a molecular weight of 263.38 g/mol, XLogP of 2.66, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[ethyl-(2-hydroxy-2-methylpropyl)amino]-1-(2-methylphenyl)propan-1-one is sourced from PubChem (CID 79379927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).