1-[2-[ethyl(2-hydroxyethyl)amino]-6-fluorophenyl]ethanone

C12H16FNO2 — CID 60678476

IUPAC1-[2-[ethyl(2-hydroxyethyl)amino]-6-fluorophenyl]ethanone
SMILESCCN(CCO)c1cccc(F)c1C(C)=O
InChIInChI=1S/C12H16FNO2/c1-3-14(7-8-15)11-6-4-5-10(13)12(11)9(2)16/h4-6,15H,3,7-8H2,1-2H3
InChIKeyWJCHJNUEYHAKOJ-UHFFFAOYSA-N
MW225.26 g/mol
LogP1.85
Rot. Bonds5

About 1-[2-[ethyl(2-hydroxyethyl)amino]-6-fluorophenyl]ethanone

1-[2-[ethyl(2-hydroxyethyl)amino]-6-fluorophenyl]ethanone (PubChem CID 60678476) has the molecular formula C12H16FNO2 and a molecular weight of 225.26 g/mol. Its IUPAC name is 1-[2-[ethyl(2-hydroxyethyl)amino]-6-fluorophenyl]ethanone.

Molecular Properties

Compound Name1-[2-[ethyl(2-hydroxyethyl)amino]-6-fluorophenyl]ethanone
PubChem CID60678476
Molecular FormulaC12H16FNO2
Molecular Weight225.26 g/mol
Exact Mass225.12
IUPAC Name1-[2-[ethyl(2-hydroxyethyl)amino]-6-fluorophenyl]ethanone
SMILESCCN(CCO)c1cccc(F)c1C(C)=O
InChIInChI=1S/C12H16FNO2/c1-3-14(7-8-15)11-6-4-5-10(13)12(11)9(2)16/h4-6,15H,3,7-8H2,1-2H3
InChIKeyWJCHJNUEYHAKOJ-UHFFFAOYSA-N
XLogP1.85
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.26
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-[ethyl(pyridin-4-ylmethyl)amino]-6-fluorophenyl]ethanone
CID 60678602
1-[2-fluoro-6-[propyl(2,2,2-trifluoroethyl)amino]phenyl]ethanone
CID 55010180
(1R)-1-[2-[ethyl(2-hydroxyethyl)amino]-6-fluorophenyl]ethanol
CID 63371083
1-[2-[1-(dimethylamino)propan-2-yl-ethylamino]-6-fluorophenyl]ethanone
CID 103189335
2-[ethyl(2,2,2-trifluoroethyl)amino]-6-fluorobenzoic acid
CID 79522128
1-[2-(N-butylanilino)-6-fluorophenyl]ethanone
CID 64584809
1-[2-[butan-2-yl(2-methoxyethyl)amino]-6-fluorophenyl]ethanone
CID 55000062
2-[2-fluoro-N-(2-hydroxyethyl)anilino]ethanol
CID 94254513
2-(2-chloro-N-ethylanilino)ethanol
CID 70558139
lithium;2-(diethylamino)-6-methylbenzoic acid;diethylazanide;2,6-difluorobenzoic acid
CID 158181217
1-[2-fluoro-6-[methyl-[(2-methylcyclopropyl)methyl]amino]phenyl]ethanone
CID 63865522
1-[3-bromo-4-[ethyl(2-hydroxyethyl)amino]phenyl]ethanone
CID 62908808

Frequently Asked Questions

What is the IUPAC name of 1-[2-[ethyl(2-hydroxyethyl)amino]-6-fluorophenyl]ethanone?
The IUPAC name of 1-[2-[ethyl(2-hydroxyethyl)amino]-6-fluorophenyl]ethanone (CID 60678476) is 1-[2-[ethyl(2-hydroxyethyl)amino]-6-fluorophenyl]ethanone.
What is the SMILES notation for 1-[2-[ethyl(2-hydroxyethyl)amino]-6-fluorophenyl]ethanone?
The canonical SMILES for 1-[2-[ethyl(2-hydroxyethyl)amino]-6-fluorophenyl]ethanone is CCN(CCO)c1cccc(F)c1C(C)=O.
What is the InChIKey of 1-[2-[ethyl(2-hydroxyethyl)amino]-6-fluorophenyl]ethanone?
The InChIKey is WJCHJNUEYHAKOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16FNO2/c1-3-14(7-8-15)11-6-4-5-10(13)12(11)9(2)16/h4-6,15H,3,7-8H2,1-2H3.
What are the key properties of 1-[2-[ethyl(2-hydroxyethyl)amino]-6-fluorophenyl]ethanone?
1-[2-[ethyl(2-hydroxyethyl)amino]-6-fluorophenyl]ethanone has a molecular weight of 225.26 g/mol, XLogP of 1.85, 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-hydroxyethyl)amino]-6-fluorophenyl]ethanone is sourced from PubChem (CID 60678476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).