3-(ethylamino)-2-(2-fluoro-6-methoxyphenyl)butan-2-ol

C13H20FNO2 — CID 113389301

IUPAC3-(ethylamino)-2-(2-fluoro-6-methoxyphenyl)butan-2-ol
SMILESCCNC(C)C(C)(O)c1c(F)cccc1OC
InChIInChI=1S/C13H20FNO2/c1-5-15-9(2)13(3,16)12-10(14)7-6-8-11(12)17-4/h6-9,15-16H,5H2,1-4H3
InChIKeyKRUQFWAECYZFBU-UHFFFAOYSA-N
MW241.31 g/mol
LogP2.04
Rot. Bonds5

About 3-(ethylamino)-2-(2-fluoro-6-methoxyphenyl)butan-2-ol

3-(ethylamino)-2-(2-fluoro-6-methoxyphenyl)butan-2-ol (PubChem CID 113389301) has the molecular formula C13H20FNO2 and a molecular weight of 241.31 g/mol. Its IUPAC name is 3-(ethylamino)-2-(2-fluoro-6-methoxyphenyl)butan-2-ol.

Molecular Properties

Compound Name3-(ethylamino)-2-(2-fluoro-6-methoxyphenyl)butan-2-ol
PubChem CID113389301
Molecular FormulaC13H20FNO2
Molecular Weight241.31 g/mol
Exact Mass241.15
IUPAC Name3-(ethylamino)-2-(2-fluoro-6-methoxyphenyl)butan-2-ol
SMILESCCNC(C)C(C)(O)c1c(F)cccc1OC
InChIInChI=1S/C13H20FNO2/c1-5-15-9(2)13(3,16)12-10(14)7-6-8-11(12)17-4/h6-9,15-16H,5H2,1-4H3
InChIKeyKRUQFWAECYZFBU-UHFFFAOYSA-N
XLogP2.04
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.31
LogP ≤ 52.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(butan-2-ylamino)-2-(2-fluoro-6-methoxyphenyl)propanamide
CID 113388819
4-amino-2-(2-fluoro-6-methoxyphenyl)-3,3-dimethylbutan-2-ol
CID 113389409
1-[1-(2-fluoro-6-methoxyphenyl)ethylamino]-2-methylpentan-2-ol
CID 103783359
1-(2-fluoro-6-methoxyphenyl)-1-(3-propylphenyl)ethanol
CID 116542850
4-amino-3-(2-fluoro-6-methoxyphenyl)-3-methylpentan-1-ol
CID 113389401
3-(2-fluoro-6-methoxyphenyl)-3-methylbutanoic acid
CID 117325215
N-ethyl-1-[2-fluoro-6-(2-methoxyphenoxy)phenyl]ethanamine
CID 43285597
1-[1-(2-fluoro-6-methoxyphenyl)ethylamino]-4-methoxy-2-methylbutan-2-ol
CID 103784211
N-[(2-fluoro-6-methoxyphenyl)-(4-fluorophenyl)methyl]ethanamine
CID 65432269
1-(4-bromo-1-propylpyrazol-5-yl)-1-(2-fluoro-6-methoxyphenyl)ethanol
CID 114638175
N-ethyl-1-[2-methoxy-6-[(2-methylpropan-2-yl)oxy]phenyl]ethanamine
CID 113389077
2-[1-(2-fluoro-6-methoxyphenyl)ethylamino]propane-1,3-diol
CID 112700459

Frequently Asked Questions

What is the IUPAC name of 3-(ethylamino)-2-(2-fluoro-6-methoxyphenyl)butan-2-ol?
The IUPAC name of 3-(ethylamino)-2-(2-fluoro-6-methoxyphenyl)butan-2-ol (CID 113389301) is 3-(ethylamino)-2-(2-fluoro-6-methoxyphenyl)butan-2-ol.
What is the SMILES notation for 3-(ethylamino)-2-(2-fluoro-6-methoxyphenyl)butan-2-ol?
The canonical SMILES for 3-(ethylamino)-2-(2-fluoro-6-methoxyphenyl)butan-2-ol is CCNC(C)C(C)(O)c1c(F)cccc1OC.
What is the InChIKey of 3-(ethylamino)-2-(2-fluoro-6-methoxyphenyl)butan-2-ol?
The InChIKey is KRUQFWAECYZFBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20FNO2/c1-5-15-9(2)13(3,16)12-10(14)7-6-8-11(12)17-4/h6-9,15-16H,5H2,1-4H3.
What are the key properties of 3-(ethylamino)-2-(2-fluoro-6-methoxyphenyl)butan-2-ol?
3-(ethylamino)-2-(2-fluoro-6-methoxyphenyl)butan-2-ol has a molecular weight of 241.31 g/mol, XLogP of 2.04, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(ethylamino)-2-(2-fluoro-6-methoxyphenyl)butan-2-ol is sourced from PubChem (CID 113389301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).