1-[N-ethyl-4-fluoro-2-[(1S)-1-hydroxyethyl]anilino]-2-methylpropan-2-ol

C14H22FNO2 — CID 79386723

IUPAC1-[N-ethyl-4-fluoro-2-[(1S)-1-hydroxyethyl]anilino]-2-methylpropan-2-ol
SMILESCCN(CC(C)(C)O)c1ccc(F)cc1[C@H](C)O
InChIInChI=1S/C14H22FNO2/c1-5-16(9-14(3,4)18)13-7-6-11(15)8-12(13)10(2)17/h6-8,10,17-18H,5,9H2,1-4H3/t10-/m0/s1
InChIKeyZQNPUNYGJVMDPR-JTQLQIEISA-N
MW255.33 g/mol
LogP2.48
Rot. Bonds5

About 1-[N-ethyl-4-fluoro-2-[(1S)-1-hydroxyethyl]anilino]-2-methylpropan-2-ol

1-[N-ethyl-4-fluoro-2-[(1S)-1-hydroxyethyl]anilino]-2-methylpropan-2-ol (PubChem CID 79386723) has the molecular formula C14H22FNO2 and a molecular weight of 255.33 g/mol. Its IUPAC name is 1-[N-ethyl-4-fluoro-2-[(1S)-1-hydroxyethyl]anilino]-2-methylpropan-2-ol.

Molecular Properties

Compound Name1-[N-ethyl-4-fluoro-2-[(1S)-1-hydroxyethyl]anilino]-2-methylpropan-2-ol
PubChem CID79386723
Molecular FormulaC14H22FNO2
Molecular Weight255.33 g/mol
Exact Mass255.16
IUPAC Name1-[N-ethyl-4-fluoro-2-[(1S)-1-hydroxyethyl]anilino]-2-methylpropan-2-ol
SMILESCCN(CC(C)(C)O)c1ccc(F)cc1[C@H](C)O
InChIInChI=1S/C14H22FNO2/c1-5-16(9-14(3,4)18)13-7-6-11(15)8-12(13)10(2)17/h6-8,10,17-18H,5,9H2,1-4H3/t10-/m0/s1
InChIKeyZQNPUNYGJVMDPR-JTQLQIEISA-N
XLogP2.48
TPSA43.70 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.33
LogP ≤ 52.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[N-ethyl-2-[(1S)-1-hydroxyethyl]anilino]-2-methylpropan-2-ol
CID 79386990
(1S)-1-[2-[ethyl(2-methylprop-2-enyl)amino]-5-fluorophenyl]ethanol
CID 78939401
(1R)-1-[2-[bis(2-methylpropyl)amino]-5-fluorophenyl]ethanol
CID 55184479
1-[2-(aminomethyl)-N-ethyl-4-fluoroanilino]-2-methylpropan-2-ol
CID 79384354
2-(1-aminoethyl)-N-ethyl-4-fluoro-N-(2,2,2-trifluoroethyl)aniline
CID 55010761
(1S)-1-[5-fluoro-2-[methyl(2-methylbutan-2-yl)amino]phenyl]ethanol
CID 63966843
(1R)-1-[5-fluoro-2-[2-hydroxyethyl(propyl)amino]phenyl]ethanol
CID 63371229
2-[N-(cyanomethyl)-4-fluoro-2-[(1S)-1-hydroxyethyl]anilino]acetonitrile
CID 78939218
(1R)-1-[2-[bis(2-methoxyethyl)amino]-5-fluorophenyl]ethanol
CID 78940044
1-[2-[cyclopropyl(ethyl)amino]-5-fluorophenyl]ethanol
CID 43506129
1-[2-[ethyl(1-methoxypropan-2-yl)amino]-5-fluorophenyl]ethanol
CID 55010825
1-[N-ethyl-2-fluoro-4-[1-(methylamino)ethyl]anilino]-2-methylpropan-2-ol
CID 79387948

Frequently Asked Questions

What is the IUPAC name of 1-[N-ethyl-4-fluoro-2-[(1S)-1-hydroxyethyl]anilino]-2-methylpropan-2-ol?
The IUPAC name of 1-[N-ethyl-4-fluoro-2-[(1S)-1-hydroxyethyl]anilino]-2-methylpropan-2-ol (CID 79386723) is 1-[N-ethyl-4-fluoro-2-[(1S)-1-hydroxyethyl]anilino]-2-methylpropan-2-ol.
What is the SMILES notation for 1-[N-ethyl-4-fluoro-2-[(1S)-1-hydroxyethyl]anilino]-2-methylpropan-2-ol?
The canonical SMILES for 1-[N-ethyl-4-fluoro-2-[(1S)-1-hydroxyethyl]anilino]-2-methylpropan-2-ol is CCN(CC(C)(C)O)c1ccc(F)cc1[C@H](C)O.
What is the InChIKey of 1-[N-ethyl-4-fluoro-2-[(1S)-1-hydroxyethyl]anilino]-2-methylpropan-2-ol?
The InChIKey is ZQNPUNYGJVMDPR-JTQLQIEISA-N. The full InChI is InChI=1S/C14H22FNO2/c1-5-16(9-14(3,4)18)13-7-6-11(15)8-12(13)10(2)17/h6-8,10,17-18H,5,9H2,1-4H3/t10-/m0/s1.
What are the key properties of 1-[N-ethyl-4-fluoro-2-[(1S)-1-hydroxyethyl]anilino]-2-methylpropan-2-ol?
1-[N-ethyl-4-fluoro-2-[(1S)-1-hydroxyethyl]anilino]-2-methylpropan-2-ol has a molecular weight of 255.33 g/mol, XLogP of 2.48, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[N-ethyl-4-fluoro-2-[(1S)-1-hydroxyethyl]anilino]-2-methylpropan-2-ol is sourced from PubChem (CID 79386723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).