1-[2-[ethyl-(2-hydroxy-2-methylpropyl)amino]phenyl]ethanone

C14H21NO2 — CID 79387122

IUPAC1-[2-[ethyl-(2-hydroxy-2-methylpropyl)amino]phenyl]ethanone
SMILESCCN(CC(C)(C)O)c1ccccc1C(C)=O
InChIInChI=1S/C14H21NO2/c1-5-15(10-14(3,4)17)13-9-7-6-8-12(13)11(2)16/h6-9,17H,5,10H2,1-4H3
InChIKeyLXXJXMLRECGJOJ-UHFFFAOYSA-N
MW235.33 g/mol
LogP2.49
Rot. Bonds5

About 1-[2-[ethyl-(2-hydroxy-2-methylpropyl)amino]phenyl]ethanone

1-[2-[ethyl-(2-hydroxy-2-methylpropyl)amino]phenyl]ethanone (PubChem CID 79387122) has the molecular formula C14H21NO2 and a molecular weight of 235.33 g/mol. Its IUPAC name is 1-[2-[ethyl-(2-hydroxy-2-methylpropyl)amino]phenyl]ethanone.

Molecular Properties

Compound Name1-[2-[ethyl-(2-hydroxy-2-methylpropyl)amino]phenyl]ethanone
PubChem CID79387122
Molecular FormulaC14H21NO2
Molecular Weight235.33 g/mol
Exact Mass235.16
IUPAC Name1-[2-[ethyl-(2-hydroxy-2-methylpropyl)amino]phenyl]ethanone
SMILESCCN(CC(C)(C)O)c1ccccc1C(C)=O
InChIInChI=1S/C14H21NO2/c1-5-15(10-14(3,4)17)13-9-7-6-8-12(13)11(2)16/h6-9,17H,5,10H2,1-4H3
InChIKeyLXXJXMLRECGJOJ-UHFFFAOYSA-N
XLogP2.49
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[ethyl-(2-hydroxy-2-methylpropyl)amino]benzenecarbothioamide
CID 79379095
1-[2-[ethyl(propyl)amino]phenyl]ethanone
CID 43268854
1-(N-ethyl-2-methylsulfonylanilino)-2-methylpropan-2-ol
CID 79390069
2-[ethyl-(2-hydroxy-2-methylpropyl)amino]benzenesulfonamide
CID 79389604
1-[2-(aminomethyl)-N-ethylanilino]-2-methylpropan-2-ol
CID 79384049
1-[N-ethyl-2-[(1S)-1-hydroxyethyl]anilino]-2-methylpropan-2-ol
CID 79386990
2-[ethyl-(2-hydroxy-2-methylpropyl)amino]-N-methylbenzenesulfonamide
CID 79389694
1-[2-amino-4-[ethyl-(2-hydroxy-2-methylpropyl)amino]phenyl]ethanone
CID 104529004
1-[4-[ethyl-(2-hydroxy-2-methylpropyl)amino]-3-fluorophenyl]ethanone
CID 79387843
1-[2-[(1R)-1-aminopropyl]-N-ethylanilino]-2-methylpropan-2-ol
CID 103959017
2-[ethyl-(2-hydroxy-2-methylpropyl)amino]-N-propan-2-ylbenzenesulfonamide
CID 79378942
4-amino-2-[ethyl-(2-hydroxy-2-methylpropyl)amino]benzoic acid
CID 79385876

Frequently Asked Questions

What is the IUPAC name of 1-[2-[ethyl-(2-hydroxy-2-methylpropyl)amino]phenyl]ethanone?
The IUPAC name of 1-[2-[ethyl-(2-hydroxy-2-methylpropyl)amino]phenyl]ethanone (CID 79387122) is 1-[2-[ethyl-(2-hydroxy-2-methylpropyl)amino]phenyl]ethanone.
What is the SMILES notation for 1-[2-[ethyl-(2-hydroxy-2-methylpropyl)amino]phenyl]ethanone?
The canonical SMILES for 1-[2-[ethyl-(2-hydroxy-2-methylpropyl)amino]phenyl]ethanone is CCN(CC(C)(C)O)c1ccccc1C(C)=O.
What is the InChIKey of 1-[2-[ethyl-(2-hydroxy-2-methylpropyl)amino]phenyl]ethanone?
The InChIKey is LXXJXMLRECGJOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO2/c1-5-15(10-14(3,4)17)13-9-7-6-8-12(13)11(2)16/h6-9,17H,5,10H2,1-4H3.
What are the key properties of 1-[2-[ethyl-(2-hydroxy-2-methylpropyl)amino]phenyl]ethanone?
1-[2-[ethyl-(2-hydroxy-2-methylpropyl)amino]phenyl]ethanone has a molecular weight of 235.33 g/mol, XLogP of 2.49, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[ethyl-(2-hydroxy-2-methylpropyl)amino]phenyl]ethanone is sourced from PubChem (CID 79387122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).