1-[1-(2,6-difluorophenyl)ethylamino]-4-methoxy-2-methylbutan-2-ol

C14H21F2NO2 — CID 103784261

IUPAC1-[1-(2,6-difluorophenyl)ethylamino]-4-methoxy-2-methylbutan-2-ol
SMILESCOCCC(C)(O)CNC(C)c1c(F)cccc1F
InChIInChI=1S/C14H21F2NO2/c1-10(13-11(15)5-4-6-12(13)16)17-9-14(2,18)7-8-19-3/h4-6,10,17-18H,7-9H2,1-3H3
InChIKeyAILNZKGNXQZIBT-UHFFFAOYSA-N
MW273.32 g/mol
LogP2.40
Rot. Bonds7

About 1-[1-(2,6-difluorophenyl)ethylamino]-4-methoxy-2-methylbutan-2-ol

1-[1-(2,6-difluorophenyl)ethylamino]-4-methoxy-2-methylbutan-2-ol (PubChem CID 103784261) has the molecular formula C14H21F2NO2 and a molecular weight of 273.32 g/mol. Its IUPAC name is 1-[1-(2,6-difluorophenyl)ethylamino]-4-methoxy-2-methylbutan-2-ol.

Molecular Properties

Compound Name1-[1-(2,6-difluorophenyl)ethylamino]-4-methoxy-2-methylbutan-2-ol
PubChem CID103784261
Molecular FormulaC14H21F2NO2
Molecular Weight273.32 g/mol
Exact Mass273.15
IUPAC Name1-[1-(2,6-difluorophenyl)ethylamino]-4-methoxy-2-methylbutan-2-ol
SMILESCOCCC(C)(O)CNC(C)c1c(F)cccc1F
InChIInChI=1S/C14H21F2NO2/c1-10(13-11(15)5-4-6-12(13)16)17-9-14(2,18)7-8-19-3/h4-6,10,17-18H,7-9H2,1-3H3
InChIKeyAILNZKGNXQZIBT-UHFFFAOYSA-N
XLogP2.40
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.32
LogP ≤ 52.40
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-[1-(2-fluoro-6-methoxyphenyl)ethylamino]-2-methylpentan-2-ol
CID 103783359
1-[1-(3,5-difluorophenyl)ethylamino]-4-methoxy-2-methylbutan-2-ol
CID 103784250
1-[1-(3-bromo-4-fluorophenyl)ethylamino]-4-methoxy-2-methylbutan-2-ol
CID 103784174
4-methoxy-1-[1-(4-methoxyphenyl)ethylamino]-2-methylbutan-2-ol
CID 103784299
N-[1-(2,3-difluorophenyl)ethyl]-4-methoxy-2,2-dimethylbutan-1-amine
CID 104628826
1-(2-amino-3-fluoroanilino)-4-methoxy-2-methylbutan-2-ol
CID 106250724
1-[1-(3,5-dimethylphenyl)ethylamino]-4-methoxy-2-methylbutan-2-ol
CID 103784156
N-[3-[1-[(2-hydroxy-4-methoxy-2-methylbutyl)amino]ethyl]phenyl]acetamide
CID 103784147
3-[1-(2,6-difluorophenyl)ethylamino]-2,2-dimethylpropanamide
CID 113383872
1-[1-(4-bromothiophen-2-yl)ethylamino]-4-methoxy-2-methylbutan-2-ol
CID 107167459
4-methoxy-2-methyl-1-[(2,2,2-trifluoro-1-phenylethyl)amino]butan-2-ol
CID 106254567

Frequently Asked Questions

What is the IUPAC name of 1-[1-(2,6-difluorophenyl)ethylamino]-4-methoxy-2-methylbutan-2-ol?
The IUPAC name of 1-[1-(2,6-difluorophenyl)ethylamino]-4-methoxy-2-methylbutan-2-ol (CID 103784261) is 1-[1-(2,6-difluorophenyl)ethylamino]-4-methoxy-2-methylbutan-2-ol.
What is the SMILES notation for 1-[1-(2,6-difluorophenyl)ethylamino]-4-methoxy-2-methylbutan-2-ol?
The canonical SMILES for 1-[1-(2,6-difluorophenyl)ethylamino]-4-methoxy-2-methylbutan-2-ol is COCCC(C)(O)CNC(C)c1c(F)cccc1F.
What is the InChIKey of 1-[1-(2,6-difluorophenyl)ethylamino]-4-methoxy-2-methylbutan-2-ol?
The InChIKey is AILNZKGNXQZIBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21F2NO2/c1-10(13-11(15)5-4-6-12(13)16)17-9-14(2,18)7-8-19-3/h4-6,10,17-18H,7-9H2,1-3H3.
What are the key properties of 1-[1-(2,6-difluorophenyl)ethylamino]-4-methoxy-2-methylbutan-2-ol?
1-[1-(2,6-difluorophenyl)ethylamino]-4-methoxy-2-methylbutan-2-ol has a molecular weight of 273.32 g/mol, XLogP of 2.40, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(2,6-difluorophenyl)ethylamino]-4-methoxy-2-methylbutan-2-ol is sourced from PubChem (CID 103784261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).