1-[4-[ethyl-(2-hydroxy-2-methylpropyl)amino]-3-fluorophenyl]ethanone

C14H20FNO2 — CID 79387843

IUPAC1-[4-[ethyl-(2-hydroxy-2-methylpropyl)amino]-3-fluorophenyl]ethanone
SMILESCCN(CC(C)(C)O)c1ccc(C(C)=O)cc1F
InChIInChI=1S/C14H20FNO2/c1-5-16(9-14(3,4)18)13-7-6-11(10(2)17)8-12(13)15/h6-8,18H,5,9H2,1-4H3
InChIKeyQPJZXWLSUGQTOK-UHFFFAOYSA-N
MW253.32 g/mol
LogP2.63
Rot. Bonds5

About 1-[4-[ethyl-(2-hydroxy-2-methylpropyl)amino]-3-fluorophenyl]ethanone

1-[4-[ethyl-(2-hydroxy-2-methylpropyl)amino]-3-fluorophenyl]ethanone (PubChem CID 79387843) has the molecular formula C14H20FNO2 and a molecular weight of 253.32 g/mol. Its IUPAC name is 1-[4-[ethyl-(2-hydroxy-2-methylpropyl)amino]-3-fluorophenyl]ethanone.

Molecular Properties

Compound Name1-[4-[ethyl-(2-hydroxy-2-methylpropyl)amino]-3-fluorophenyl]ethanone
PubChem CID79387843
Molecular FormulaC14H20FNO2
Molecular Weight253.32 g/mol
Exact Mass253.15
IUPAC Name1-[4-[ethyl-(2-hydroxy-2-methylpropyl)amino]-3-fluorophenyl]ethanone
SMILESCCN(CC(C)(C)O)c1ccc(C(C)=O)cc1F
InChIInChI=1S/C14H20FNO2/c1-5-16(9-14(3,4)18)13-7-6-11(10(2)17)8-12(13)15/h6-8,18H,5,9H2,1-4H3
InChIKeyQPJZXWLSUGQTOK-UHFFFAOYSA-N
XLogP2.63
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.32
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[ethyl-(2-hydroxy-2-methylpropyl)amino]-3-fluorobenzenecarbothioamide
CID 79377057
1-[4-[2-ethoxyethyl(ethyl)amino]-3-fluorophenyl]ethanone
CID 63697407
1-[4-[bis(2-methylpropyl)amino]-3-fluorophenyl]ethanone
CID 63532802
1-[N-ethyl-2-fluoro-4-[1-(methylamino)ethyl]anilino]-2-methylpropan-2-ol
CID 79387948
1-[4-[butyl(2-hydroxyethyl)amino]-3-fluorophenyl]ethanone
CID 61446469
1-[2-[ethyl-(2-hydroxy-2-methylpropyl)amino]phenyl]ethanone
CID 79387122
1-[2-(aminomethyl)-N-ethyl-4-fluoroanilino]-2-methylpropan-2-ol
CID 79384354
4-[ethyl-(2-hydroxy-2-methylpropyl)amino]-3-nitrobenzoic acid
CID 79380237
1-[4-(diethylamino)-3-methylphenyl]ethanone
CID 82054352
1-[3-bromo-4-[(2-hydroxy-2-methylpropyl)-methylamino]phenyl]ethanone
CID 79387300
3-amino-N-ethyl-4-[ethyl-(2-hydroxy-2-methylpropyl)amino]benzamide
CID 82999998
1-[4-[cyclopropyl(2,2,2-trifluoroethyl)amino]-3-fluorophenyl]ethanone
CID 55010756

Frequently Asked Questions

What is the IUPAC name of 1-[4-[ethyl-(2-hydroxy-2-methylpropyl)amino]-3-fluorophenyl]ethanone?
The IUPAC name of 1-[4-[ethyl-(2-hydroxy-2-methylpropyl)amino]-3-fluorophenyl]ethanone (CID 79387843) is 1-[4-[ethyl-(2-hydroxy-2-methylpropyl)amino]-3-fluorophenyl]ethanone.
What is the SMILES notation for 1-[4-[ethyl-(2-hydroxy-2-methylpropyl)amino]-3-fluorophenyl]ethanone?
The canonical SMILES for 1-[4-[ethyl-(2-hydroxy-2-methylpropyl)amino]-3-fluorophenyl]ethanone is CCN(CC(C)(C)O)c1ccc(C(C)=O)cc1F.
What is the InChIKey of 1-[4-[ethyl-(2-hydroxy-2-methylpropyl)amino]-3-fluorophenyl]ethanone?
The InChIKey is QPJZXWLSUGQTOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20FNO2/c1-5-16(9-14(3,4)18)13-7-6-11(10(2)17)8-12(13)15/h6-8,18H,5,9H2,1-4H3.
What are the key properties of 1-[4-[ethyl-(2-hydroxy-2-methylpropyl)amino]-3-fluorophenyl]ethanone?
1-[4-[ethyl-(2-hydroxy-2-methylpropyl)amino]-3-fluorophenyl]ethanone has a molecular weight of 253.32 g/mol, XLogP of 2.63, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[ethyl-(2-hydroxy-2-methylpropyl)amino]-3-fluorophenyl]ethanone is sourced from PubChem (CID 79387843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).