1-[1-(2-fluoro-6-methoxyphenyl)ethylamino]-2-methylpentan-2-ol

C15H24FNO2 — CID 103783359

IUPAC1-[1-(2-fluoro-6-methoxyphenyl)ethylamino]-2-methylpentan-2-ol
SMILESCCCC(C)(O)CNC(C)c1c(F)cccc1OC
InChIInChI=1S/C15H24FNO2/c1-5-9-15(3,18)10-17-11(2)14-12(16)7-6-8-13(14)19-4/h6-8,11,17-18H,5,9-10H2,1-4H3
InChIKeyGSPCUISGIUOLGM-UHFFFAOYSA-N
MW269.36 g/mol
LogP3.04
Rot. Bonds7

About 1-[1-(2-fluoro-6-methoxyphenyl)ethylamino]-2-methylpentan-2-ol

1-[1-(2-fluoro-6-methoxyphenyl)ethylamino]-2-methylpentan-2-ol (PubChem CID 103783359) has the molecular formula C15H24FNO2 and a molecular weight of 269.36 g/mol. Its IUPAC name is 1-[1-(2-fluoro-6-methoxyphenyl)ethylamino]-2-methylpentan-2-ol.

Molecular Properties

Compound Name1-[1-(2-fluoro-6-methoxyphenyl)ethylamino]-2-methylpentan-2-ol
PubChem CID103783359
Molecular FormulaC15H24FNO2
Molecular Weight269.36 g/mol
Exact Mass269.18
IUPAC Name1-[1-(2-fluoro-6-methoxyphenyl)ethylamino]-2-methylpentan-2-ol
SMILESCCCC(C)(O)CNC(C)c1c(F)cccc1OC
InChIInChI=1S/C15H24FNO2/c1-5-9-15(3,18)10-17-11(2)14-12(16)7-6-8-13(14)19-4/h6-8,11,17-18H,5,9-10H2,1-4H3
InChIKeyGSPCUISGIUOLGM-UHFFFAOYSA-N
XLogP3.04
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.36
LogP ≤ 53.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[1-(2-fluoro-6-methoxyphenyl)ethylamino]-4-methoxy-2-methylbutan-2-ol
CID 103784211
1-N-[1-(2-fluoro-6-methoxyphenyl)ethyl]-2-N,2-N,2-trimethylpropane-1,2-diamine
CID 112699983
1-[1-(2,6-difluorophenyl)ethylamino]-4-methoxy-2-methylbutan-2-ol
CID 103784261
N-[1-(2-fluoro-6-methoxyphenyl)ethyl]-2-methylpropan-1-amine
CID 115704747
1-N-[1-(2-fluoro-6-methoxyphenyl)ethyl]-2-N,2-N-dimethylpropane-1,2-diamine
CID 112700389
N-[1-(2-fluoro-6-methoxyphenyl)ethyl]propan-2-amine
CID 115705454
1-[1-(3,4-dimethoxyphenyl)ethylamino]-2-methylpentan-2-ol
CID 103716987
methyl 2-[[(1S)-1-(2-fluoro-6-methoxyphenyl)ethyl]amino]acetate
CID 97334412
2-[1-(2-fluoro-6-methoxyphenyl)ethylamino]acetamide
CID 115901891
2-[1-(2-fluoro-6-methoxyphenyl)ethyl]-2-hydroxypentanoic acid
CID 113389405
N-[1-(2-fluoro-6-methoxyphenyl)ethyl]-N',N'-dimethylethane-1,2-diamine
CID 113350949
N-ethyl-1-[2-fluoro-6-(2-methoxyphenoxy)phenyl]ethanamine
CID 43285597

Frequently Asked Questions

What is the IUPAC name of 1-[1-(2-fluoro-6-methoxyphenyl)ethylamino]-2-methylpentan-2-ol?
The IUPAC name of 1-[1-(2-fluoro-6-methoxyphenyl)ethylamino]-2-methylpentan-2-ol (CID 103783359) is 1-[1-(2-fluoro-6-methoxyphenyl)ethylamino]-2-methylpentan-2-ol.
What is the SMILES notation for 1-[1-(2-fluoro-6-methoxyphenyl)ethylamino]-2-methylpentan-2-ol?
The canonical SMILES for 1-[1-(2-fluoro-6-methoxyphenyl)ethylamino]-2-methylpentan-2-ol is CCCC(C)(O)CNC(C)c1c(F)cccc1OC.
What is the InChIKey of 1-[1-(2-fluoro-6-methoxyphenyl)ethylamino]-2-methylpentan-2-ol?
The InChIKey is GSPCUISGIUOLGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24FNO2/c1-5-9-15(3,18)10-17-11(2)14-12(16)7-6-8-13(14)19-4/h6-8,11,17-18H,5,9-10H2,1-4H3.
What are the key properties of 1-[1-(2-fluoro-6-methoxyphenyl)ethylamino]-2-methylpentan-2-ol?
1-[1-(2-fluoro-6-methoxyphenyl)ethylamino]-2-methylpentan-2-ol has a molecular weight of 269.36 g/mol, XLogP of 3.04, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(2-fluoro-6-methoxyphenyl)ethylamino]-2-methylpentan-2-ol is sourced from PubChem (CID 103783359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).