1-[2-[butan-2-yl(ethyl)amino]-6-fluorophenyl]ethanol

C14H22FNO — CID 43506187

IUPAC1-[2-[butan-2-yl(ethyl)amino]-6-fluorophenyl]ethanol
SMILESCCC(C)N(CC)c1cccc(F)c1C(C)O
InChIInChI=1S/C14H22FNO/c1-5-10(3)16(6-2)13-9-7-8-12(15)14(13)11(4)17/h7-11,17H,5-6H2,1-4H3
InChIKeyZIJCJGCJNYTMKW-UHFFFAOYSA-N
MW239.33 g/mol
LogP3.50
Rot. Bonds5

About 1-[2-[butan-2-yl(ethyl)amino]-6-fluorophenyl]ethanol

1-[2-[butan-2-yl(ethyl)amino]-6-fluorophenyl]ethanol (PubChem CID 43506187) has the molecular formula C14H22FNO and a molecular weight of 239.33 g/mol. Its IUPAC name is 1-[2-[butan-2-yl(ethyl)amino]-6-fluorophenyl]ethanol.

Molecular Properties

Compound Name1-[2-[butan-2-yl(ethyl)amino]-6-fluorophenyl]ethanol
PubChem CID43506187
Molecular FormulaC14H22FNO
Molecular Weight239.33 g/mol
Exact Mass239.17
IUPAC Name1-[2-[butan-2-yl(ethyl)amino]-6-fluorophenyl]ethanol
SMILESCCC(C)N(CC)c1cccc(F)c1C(C)O
InChIInChI=1S/C14H22FNO/c1-5-10(3)16(6-2)13-9-7-8-12(15)14(13)11(4)17/h7-11,17H,5-6H2,1-4H3
InChIKeyZIJCJGCJNYTMKW-UHFFFAOYSA-N
XLogP3.50
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
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

(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
(1S)-1-[2-fluoro-6-[2-methylpropyl(propan-2-yl)amino]phenyl]ethanol
CID 55183938
N-butan-2-yl-N-ethyl-3-fluoro-2-nitroaniline
CID 62663637
(1R)-1-[2-[ethyl(2-hydroxyethyl)amino]-6-fluorophenyl]ethanol
CID 63371083
(1S)-1-[2-[cyclopropyl(ethyl)amino]-6-fluorophenyl]ethanol
CID 78939475
1-[2-fluoro-6-[methyl(2-methylbutan-2-yl)amino]phenyl]ethanol
CID 63965516
2-[butan-2-yl(ethyl)amino]-6-fluorobenzonitrile
CID 79512921
(1R)-1-[2-fluoro-6-[methyl(2-methylbutan-2-yl)amino]phenyl]ethanol
CID 78955151
1-[2-[butan-2-yl(ethyl)amino]phenyl]ethanol
CID 43510195
(1R)-1-[2-fluoro-6-[methyl(propan-2-yl)amino]phenyl]ethanol
CID 63371539
1-(2,6-difluorophenyl)ethanol
CID 5012075

Frequently Asked Questions

What is the IUPAC name of 1-[2-[butan-2-yl(ethyl)amino]-6-fluorophenyl]ethanol?
The IUPAC name of 1-[2-[butan-2-yl(ethyl)amino]-6-fluorophenyl]ethanol (CID 43506187) is 1-[2-[butan-2-yl(ethyl)amino]-6-fluorophenyl]ethanol.
What is the SMILES notation for 1-[2-[butan-2-yl(ethyl)amino]-6-fluorophenyl]ethanol?
The canonical SMILES for 1-[2-[butan-2-yl(ethyl)amino]-6-fluorophenyl]ethanol is CCC(C)N(CC)c1cccc(F)c1C(C)O.
What is the InChIKey of 1-[2-[butan-2-yl(ethyl)amino]-6-fluorophenyl]ethanol?
The InChIKey is ZIJCJGCJNYTMKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22FNO/c1-5-10(3)16(6-2)13-9-7-8-12(15)14(13)11(4)17/h7-11,17H,5-6H2,1-4H3.
What are the key properties of 1-[2-[butan-2-yl(ethyl)amino]-6-fluorophenyl]ethanol?
1-[2-[butan-2-yl(ethyl)amino]-6-fluorophenyl]ethanol has a molecular weight of 239.33 g/mol, XLogP of 3.50, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[butan-2-yl(ethyl)amino]-6-fluorophenyl]ethanol is sourced from PubChem (CID 43506187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).