1-[2-fluoro-6-[methyl(3-methylbutan-2-yl)amino]phenyl]ethanol

C14H22FNO — CID 43570328

IUPAC1-[2-fluoro-6-[methyl(3-methylbutan-2-yl)amino]phenyl]ethanol
SMILESCC(O)c1c(F)cccc1N(C)C(C)C(C)C
InChIInChI=1S/C14H22FNO/c1-9(2)10(3)16(5)13-8-6-7-12(15)14(13)11(4)17/h6-11,17H,1-5H3
InChIKeySEWUNPSJBUOMIG-UHFFFAOYSA-N
MW239.33 g/mol
LogP3.36
Rot. Bonds4

About 1-[2-fluoro-6-[methyl(3-methylbutan-2-yl)amino]phenyl]ethanol

1-[2-fluoro-6-[methyl(3-methylbutan-2-yl)amino]phenyl]ethanol (PubChem CID 43570328) has the molecular formula C14H22FNO and a molecular weight of 239.33 g/mol. Its IUPAC name is 1-[2-fluoro-6-[methyl(3-methylbutan-2-yl)amino]phenyl]ethanol.

Molecular Properties

Compound Name1-[2-fluoro-6-[methyl(3-methylbutan-2-yl)amino]phenyl]ethanol
PubChem CID43570328
Molecular FormulaC14H22FNO
Molecular Weight239.33 g/mol
Exact Mass239.17
IUPAC Name1-[2-fluoro-6-[methyl(3-methylbutan-2-yl)amino]phenyl]ethanol
SMILESCC(O)c1c(F)cccc1N(C)C(C)C(C)C
InChIInChI=1S/C14H22FNO/c1-9(2)10(3)16(5)13-8-6-7-12(15)14(13)11(4)17/h6-11,17H,1-5H3
InChIKeySEWUNPSJBUOMIG-UHFFFAOYSA-N
XLogP3.36
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.33
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[2-fluoro-6-[methyl(3-methylbutan-2-yl)amino]phenyl]ethanol?
The IUPAC name of 1-[2-fluoro-6-[methyl(3-methylbutan-2-yl)amino]phenyl]ethanol (CID 43570328) is 1-[2-fluoro-6-[methyl(3-methylbutan-2-yl)amino]phenyl]ethanol.
What is the SMILES notation for 1-[2-fluoro-6-[methyl(3-methylbutan-2-yl)amino]phenyl]ethanol?
The canonical SMILES for 1-[2-fluoro-6-[methyl(3-methylbutan-2-yl)amino]phenyl]ethanol is CC(O)c1c(F)cccc1N(C)C(C)C(C)C.
What is the InChIKey of 1-[2-fluoro-6-[methyl(3-methylbutan-2-yl)amino]phenyl]ethanol?
The InChIKey is SEWUNPSJBUOMIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22FNO/c1-9(2)10(3)16(5)13-8-6-7-12(15)14(13)11(4)17/h6-11,17H,1-5H3.
What are the key properties of 1-[2-fluoro-6-[methyl(3-methylbutan-2-yl)amino]phenyl]ethanol?
1-[2-fluoro-6-[methyl(3-methylbutan-2-yl)amino]phenyl]ethanol has a molecular weight of 239.33 g/mol, XLogP of 3.36, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-fluoro-6-[methyl(3-methylbutan-2-yl)amino]phenyl]ethanol is sourced from PubChem (CID 43570328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).