1-[1-(2-fluoro-6-methoxyphenyl)ethylamino]-4-methoxy-2-methylbutan-2-ol

C15H24FNO3 — CID 103784211

IUPAC1-[1-(2-fluoro-6-methoxyphenyl)ethylamino]-4-methoxy-2-methylbutan-2-ol
SMILESCOCCC(C)(O)CNC(C)c1c(F)cccc1OC
InChIInChI=1S/C15H24FNO3/c1-11(17-10-15(2,18)8-9-19-3)14-12(16)6-5-7-13(14)20-4/h5-7,11,17-18H,8-10H2,1-4H3
InChIKeyPXBQMURCLDLIRR-UHFFFAOYSA-N
MW285.36 g/mol
LogP2.27
Rot. Bonds8

About 1-[1-(2-fluoro-6-methoxyphenyl)ethylamino]-4-methoxy-2-methylbutan-2-ol

1-[1-(2-fluoro-6-methoxyphenyl)ethylamino]-4-methoxy-2-methylbutan-2-ol (PubChem CID 103784211) has the molecular formula C15H24FNO3 and a molecular weight of 285.36 g/mol. Its IUPAC name is 1-[1-(2-fluoro-6-methoxyphenyl)ethylamino]-4-methoxy-2-methylbutan-2-ol.

Molecular Properties

Compound Name1-[1-(2-fluoro-6-methoxyphenyl)ethylamino]-4-methoxy-2-methylbutan-2-ol
PubChem CID103784211
Molecular FormulaC15H24FNO3
Molecular Weight285.36 g/mol
Exact Mass285.17
IUPAC Name1-[1-(2-fluoro-6-methoxyphenyl)ethylamino]-4-methoxy-2-methylbutan-2-ol
SMILESCOCCC(C)(O)CNC(C)c1c(F)cccc1OC
InChIInChI=1S/C15H24FNO3/c1-11(17-10-15(2,18)8-9-19-3)14-12(16)6-5-7-13(14)20-4/h5-7,11,17-18H,8-10H2,1-4H3
InChIKeyPXBQMURCLDLIRR-UHFFFAOYSA-N
XLogP2.27
TPSA50.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.36
LogP ≤ 52.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[1-(2,6-difluorophenyl)ethylamino]-4-methoxy-2-methylbutan-2-ol
CID 103784261
1-[1-(2-fluoro-6-methoxyphenyl)ethylamino]-2-methylpentan-2-ol
CID 103783359
1-N-[1-(2-fluoro-6-methoxyphenyl)ethyl]-2-N,2-N,2-trimethylpropane-1,2-diamine
CID 112699983
N-[1-(2-fluoro-6-methoxyphenyl)ethyl]-4-methoxybutan-1-amine
CID 112700153
N-[1-(2-fluoro-6-methoxyphenyl)ethyl]-2-methylpropan-1-amine
CID 115704747
N-[1-(2-fluoro-6-methoxyphenyl)ethyl]-3-methoxy-2-methylpropan-1-amine
CID 112700304
N-[1-(2-fluoro-6-methoxyphenyl)ethyl]propan-2-amine
CID 115705454
N-[1-(2-fluoro-6-methoxyphenyl)ethyl]-1-methoxypropan-2-amine
CID 112695750
1-[1-(3,5-difluorophenyl)ethylamino]-4-methoxy-2-methylbutan-2-ol
CID 103784250
4-methoxy-1-[1-(4-methoxyphenyl)ethylamino]-2-methylbutan-2-ol
CID 103784299
methyl 2-[[(1S)-1-(2-fluoro-6-methoxyphenyl)ethyl]amino]acetate
CID 97334412
1-[1-(3-bromo-4-fluorophenyl)ethylamino]-4-methoxy-2-methylbutan-2-ol
CID 103784174

Frequently Asked Questions

What is the IUPAC name of 1-[1-(2-fluoro-6-methoxyphenyl)ethylamino]-4-methoxy-2-methylbutan-2-ol?
The IUPAC name of 1-[1-(2-fluoro-6-methoxyphenyl)ethylamino]-4-methoxy-2-methylbutan-2-ol (CID 103784211) is 1-[1-(2-fluoro-6-methoxyphenyl)ethylamino]-4-methoxy-2-methylbutan-2-ol.
What is the SMILES notation for 1-[1-(2-fluoro-6-methoxyphenyl)ethylamino]-4-methoxy-2-methylbutan-2-ol?
The canonical SMILES for 1-[1-(2-fluoro-6-methoxyphenyl)ethylamino]-4-methoxy-2-methylbutan-2-ol is COCCC(C)(O)CNC(C)c1c(F)cccc1OC.
What is the InChIKey of 1-[1-(2-fluoro-6-methoxyphenyl)ethylamino]-4-methoxy-2-methylbutan-2-ol?
The InChIKey is PXBQMURCLDLIRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24FNO3/c1-11(17-10-15(2,18)8-9-19-3)14-12(16)6-5-7-13(14)20-4/h5-7,11,17-18H,8-10H2,1-4H3.
What are the key properties of 1-[1-(2-fluoro-6-methoxyphenyl)ethylamino]-4-methoxy-2-methylbutan-2-ol?
1-[1-(2-fluoro-6-methoxyphenyl)ethylamino]-4-methoxy-2-methylbutan-2-ol has a molecular weight of 285.36 g/mol, XLogP of 2.27, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(2-fluoro-6-methoxyphenyl)ethylamino]-4-methoxy-2-methylbutan-2-ol is sourced from PubChem (CID 103784211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).