1-[3-(ethylaminomethyl)-5-fluorophenoxy]-2-methylbutan-2-ol

C14H22FNO2 — CID 114492432

IUPAC1-[3-(ethylaminomethyl)-5-fluorophenoxy]-2-methylbutan-2-ol
SMILESCCNCc1cc(F)cc(OCC(C)(O)CC)c1
InChIInChI=1S/C14H22FNO2/c1-4-14(3,17)10-18-13-7-11(9-16-5-2)6-12(15)8-13/h6-8,16-17H,4-5,9-10H2,1-3H3
InChIKeyHYMYPLKHKYDWEB-UHFFFAOYSA-N
MW255.33 g/mol
LogP2.47
Rot. Bonds7

About 1-[3-(ethylaminomethyl)-5-fluorophenoxy]-2-methylbutan-2-ol

1-[3-(ethylaminomethyl)-5-fluorophenoxy]-2-methylbutan-2-ol (PubChem CID 114492432) has the molecular formula C14H22FNO2 and a molecular weight of 255.33 g/mol. Its IUPAC name is 1-[3-(ethylaminomethyl)-5-fluorophenoxy]-2-methylbutan-2-ol.

Molecular Properties

Compound Name1-[3-(ethylaminomethyl)-5-fluorophenoxy]-2-methylbutan-2-ol
PubChem CID114492432
Molecular FormulaC14H22FNO2
Molecular Weight255.33 g/mol
Exact Mass255.16
IUPAC Name1-[3-(ethylaminomethyl)-5-fluorophenoxy]-2-methylbutan-2-ol
SMILESCCNCc1cc(F)cc(OCC(C)(O)CC)c1
InChIInChI=1S/C14H22FNO2/c1-4-14(3,17)10-18-13-7-11(9-16-5-2)6-12(15)8-13/h6-8,16-17H,4-5,9-10H2,1-3H3
InChIKeyHYMYPLKHKYDWEB-UHFFFAOYSA-N
XLogP2.47
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.33
LogP ≤ 52.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-fluoro-5-(2-hydroxy-2-methylbutoxy)benzaldehyde
CID 114494039
3-[[3-fluoro-5-[(2-methoxyethylamino)methyl]phenoxy]methyl]pentan-3-ol
CID 114492451
3-[3-(ethylaminomethyl)-5-fluorophenoxy]-N,N-dimethylpropan-1-amine
CID 114524943
N-[[3-(3,5-dimethylphenoxy)-5-fluorophenyl]methyl]ethanamine
CID 106533327
N-[[3-(4-ethylphenoxy)-5-fluorophenyl]methyl]ethanamine
CID 106533297
2-methyl-1-[3-[(2-methylpropylamino)methyl]phenoxy]butan-2-ol
CID 114492020
N-[[3-(5-bromo-2,3-difluorophenoxy)-5-fluorophenyl]methyl]ethanamine
CID 107101981
N-[[3-(2,4-difluorophenoxy)-5-fluorophenyl]methyl]ethanamine
CID 106533262
N-[[3-fluoro-5-[2-(1-methylimidazol-2-yl)ethoxy]phenyl]methyl]ethanamine
CID 114527311
1-[4-[(2-methoxyethylamino)methyl]phenoxy]-2-methylbutan-2-ol
CID 114491978
1-[2-(ethylaminomethyl)-5-methoxyphenoxy]-2-methylbutan-2-ol
CID 114491840
N-[[3-fluoro-5-(2-iodophenoxy)phenyl]methyl]ethanamine
CID 106533418

Frequently Asked Questions

What is the IUPAC name of 1-[3-(ethylaminomethyl)-5-fluorophenoxy]-2-methylbutan-2-ol?
The IUPAC name of 1-[3-(ethylaminomethyl)-5-fluorophenoxy]-2-methylbutan-2-ol (CID 114492432) is 1-[3-(ethylaminomethyl)-5-fluorophenoxy]-2-methylbutan-2-ol.
What is the SMILES notation for 1-[3-(ethylaminomethyl)-5-fluorophenoxy]-2-methylbutan-2-ol?
The canonical SMILES for 1-[3-(ethylaminomethyl)-5-fluorophenoxy]-2-methylbutan-2-ol is CCNCc1cc(F)cc(OCC(C)(O)CC)c1.
What is the InChIKey of 1-[3-(ethylaminomethyl)-5-fluorophenoxy]-2-methylbutan-2-ol?
The InChIKey is HYMYPLKHKYDWEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22FNO2/c1-4-14(3,17)10-18-13-7-11(9-16-5-2)6-12(15)8-13/h6-8,16-17H,4-5,9-10H2,1-3H3.
What are the key properties of 1-[3-(ethylaminomethyl)-5-fluorophenoxy]-2-methylbutan-2-ol?
1-[3-(ethylaminomethyl)-5-fluorophenoxy]-2-methylbutan-2-ol has a molecular weight of 255.33 g/mol, XLogP of 2.47, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(ethylaminomethyl)-5-fluorophenoxy]-2-methylbutan-2-ol is sourced from PubChem (CID 114492432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).