1-[2-fluoro-6-[furan-2-ylmethyl(methyl)amino]phenyl]ethanol

C14H16FNO2 — CID 43527064

IUPAC1-[2-fluoro-6-[furan-2-ylmethyl(methyl)amino]phenyl]ethanol
SMILESCC(O)c1c(F)cccc1N(C)Cc1ccco1
InChIInChI=1S/C14H16FNO2/c1-10(17)14-12(15)6-3-7-13(14)16(2)9-11-5-4-8-18-11/h3-8,10,17H,9H2,1-2H3
InChIKeyOGCKOWJEFQAOSU-UHFFFAOYSA-N
MW249.29 g/mol
LogP3.11
Rot. Bonds4

About 1-[2-fluoro-6-[furan-2-ylmethyl(methyl)amino]phenyl]ethanol

1-[2-fluoro-6-[furan-2-ylmethyl(methyl)amino]phenyl]ethanol (PubChem CID 43527064) has the molecular formula C14H16FNO2 and a molecular weight of 249.29 g/mol. Its IUPAC name is 1-[2-fluoro-6-[furan-2-ylmethyl(methyl)amino]phenyl]ethanol.

Molecular Properties

Compound Name1-[2-fluoro-6-[furan-2-ylmethyl(methyl)amino]phenyl]ethanol
PubChem CID43527064
Molecular FormulaC14H16FNO2
Molecular Weight249.29 g/mol
Exact Mass249.12
IUPAC Name1-[2-fluoro-6-[furan-2-ylmethyl(methyl)amino]phenyl]ethanol
SMILESCC(O)c1c(F)cccc1N(C)Cc1ccco1
InChIInChI=1S/C14H16FNO2/c1-10(17)14-12(15)6-3-7-13(14)16(2)9-11-5-4-8-18-11/h3-8,10,17H,9H2,1-2H3
InChIKeyOGCKOWJEFQAOSU-UHFFFAOYSA-N
XLogP3.11
TPSA36.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.29
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-fluoro-6-[furan-2-ylmethyl(methyl)amino]benzoic acid
CID 79522283
(1R)-1-[2-fluoro-6-[methyl-[(2-methylphenyl)methyl]amino]phenyl]ethanol
CID 63371123
(1R)-1-[2-fluoro-6-[2-hydroxyethyl(methyl)amino]phenyl]ethanol
CID 63371010
1-[2-fluoro-6-(furan-2-ylmethylsulfanyl)phenyl]ethanol
CID 63814189
1-[2-[(3-bromophenyl)methyl-methylamino]-6-fluorophenyl]ethanol
CID 61416210
(1R)-1-[2-[butyl(methyl)amino]-6-fluorophenyl]ethanol
CID 63371580
1-[2-fluoro-6-[methyl(pyridin-3-ylmethyl)amino]phenyl]ethanol
CID 43563565
2-[(1R)-1-aminoethyl]-N-ethyl-3-fluoro-N-(furan-2-ylmethyl)aniline
CID 63369519
3-[3-fluoro-2-(1-hydroxyethyl)-N-methylanilino]propanenitrile
CID 43506029
(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-[methyl(oxan-4-ylmethyl)amino]phenyl]ethanol
CID 78948278

Frequently Asked Questions

What is the IUPAC name of 1-[2-fluoro-6-[furan-2-ylmethyl(methyl)amino]phenyl]ethanol?
The IUPAC name of 1-[2-fluoro-6-[furan-2-ylmethyl(methyl)amino]phenyl]ethanol (CID 43527064) is 1-[2-fluoro-6-[furan-2-ylmethyl(methyl)amino]phenyl]ethanol.
What is the SMILES notation for 1-[2-fluoro-6-[furan-2-ylmethyl(methyl)amino]phenyl]ethanol?
The canonical SMILES for 1-[2-fluoro-6-[furan-2-ylmethyl(methyl)amino]phenyl]ethanol is CC(O)c1c(F)cccc1N(C)Cc1ccco1.
What is the InChIKey of 1-[2-fluoro-6-[furan-2-ylmethyl(methyl)amino]phenyl]ethanol?
The InChIKey is OGCKOWJEFQAOSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16FNO2/c1-10(17)14-12(15)6-3-7-13(14)16(2)9-11-5-4-8-18-11/h3-8,10,17H,9H2,1-2H3.
What are the key properties of 1-[2-fluoro-6-[furan-2-ylmethyl(methyl)amino]phenyl]ethanol?
1-[2-fluoro-6-[furan-2-ylmethyl(methyl)amino]phenyl]ethanol has a molecular weight of 249.29 g/mol, XLogP of 3.11, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-fluoro-6-[furan-2-ylmethyl(methyl)amino]phenyl]ethanol is sourced from PubChem (CID 43527064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).