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

C14H22FNO — CID 63965516

IUPAC1-[2-fluoro-6-[methyl(2-methylbutan-2-yl)amino]phenyl]ethanol
SMILESCCC(C)(C)N(C)c1cccc(F)c1C(C)O
InChIInChI=1S/C14H22FNO/c1-6-14(3,4)16(5)12-9-7-8-11(15)13(12)10(2)17/h7-10,17H,6H2,1-5H3
InChIKeyZNJMZBUWEUGAHG-UHFFFAOYSA-N
MW239.33 g/mol
LogP3.50
Rot. Bonds4

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

1-[2-fluoro-6-[methyl(2-methylbutan-2-yl)amino]phenyl]ethanol (PubChem CID 63965516) has the molecular formula C14H22FNO and a molecular weight of 239.33 g/mol. Its IUPAC name is 1-[2-fluoro-6-[methyl(2-methylbutan-2-yl)amino]phenyl]ethanol.

Molecular Properties

Compound Name1-[2-fluoro-6-[methyl(2-methylbutan-2-yl)amino]phenyl]ethanol
PubChem CID63965516
Molecular FormulaC14H22FNO
Molecular Weight239.33 g/mol
Exact Mass239.17
IUPAC Name1-[2-fluoro-6-[methyl(2-methylbutan-2-yl)amino]phenyl]ethanol
SMILESCCC(C)(C)N(C)c1cccc(F)c1C(C)O
InChIInChI=1S/C14H22FNO/c1-6-14(3,4)16(5)12-9-7-8-11(15)13(12)10(2)17/h7-10,17H,6H2,1-5H3
InChIKeyZNJMZBUWEUGAHG-UHFFFAOYSA-N
XLogP3.50
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 ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(1R)-1-[2-fluoro-6-[methyl(2-methylbutan-2-yl)amino]phenyl]ethanol
CID 78955151
(1R)-1-[2-fluoro-6-[methyl(propan-2-yl)amino]phenyl]ethanol
CID 63371539
(1S)-1-[2-[ethyl(propan-2-yl)amino]-6-fluorophenyl]ethanol
CID 78939528
(1R)-1-[2-[ethyl(propan-2-yl)amino]-6-fluorophenyl]ethanol
CID 63370786
(1R)-1-[2-[butyl(methyl)amino]-6-fluorophenyl]ethanol
CID 63371580
(1R)-1-[2-fluoro-6-(2-fluoro-N-methylanilino)phenyl]ethanol
CID 78940926
(1S)-1-[2-fluoro-6-(2-fluoro-N-methylanilino)phenyl]ethanol
CID 55184318
(1S)-1-[2-fluoro-6-[2-methylpropyl(propan-2-yl)amino]phenyl]ethanol
CID 55183938
1-[2-[butan-2-yl(ethyl)amino]-6-fluorophenyl]ethanol
CID 43506187
(1R)-1-[2-fluoro-6-[2-hydroxyethyl(methyl)amino]phenyl]ethanol
CID 63371010
1-[2-fluoro-6-[methyl(3-methylbutan-2-yl)amino]phenyl]ethanol
CID 43570328
1-[2-[3-(dimethylamino)propyl-methylamino]-6-fluorophenyl]ethanol
CID 55226767

Frequently Asked Questions

What is the IUPAC name of 1-[2-fluoro-6-[methyl(2-methylbutan-2-yl)amino]phenyl]ethanol?
The IUPAC name of 1-[2-fluoro-6-[methyl(2-methylbutan-2-yl)amino]phenyl]ethanol (CID 63965516) is 1-[2-fluoro-6-[methyl(2-methylbutan-2-yl)amino]phenyl]ethanol.
What is the SMILES notation for 1-[2-fluoro-6-[methyl(2-methylbutan-2-yl)amino]phenyl]ethanol?
The canonical SMILES for 1-[2-fluoro-6-[methyl(2-methylbutan-2-yl)amino]phenyl]ethanol is CCC(C)(C)N(C)c1cccc(F)c1C(C)O.
What is the InChIKey of 1-[2-fluoro-6-[methyl(2-methylbutan-2-yl)amino]phenyl]ethanol?
The InChIKey is ZNJMZBUWEUGAHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22FNO/c1-6-14(3,4)16(5)12-9-7-8-11(15)13(12)10(2)17/h7-10,17H,6H2,1-5H3.
What are the key properties of 1-[2-fluoro-6-[methyl(2-methylbutan-2-yl)amino]phenyl]ethanol?
1-[2-fluoro-6-[methyl(2-methylbutan-2-yl)amino]phenyl]ethanol has a molecular weight of 239.33 g/mol, XLogP of 3.50, 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(2-methylbutan-2-yl)amino]phenyl]ethanol is sourced from PubChem (CID 63965516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).