1-[2-fluoro-6-[furan-3-ylmethyl(methyl)amino]phenyl]ethanol

C14H16FNO2 — CID 61422649

IUPAC1-[2-fluoro-6-[furan-3-ylmethyl(methyl)amino]phenyl]ethanol
SMILESCC(O)c1c(F)cccc1N(C)Cc1ccoc1
InChIInChI=1S/C14H16FNO2/c1-10(17)14-12(15)4-3-5-13(14)16(2)8-11-6-7-18-9-11/h3-7,9-10,17H,8H2,1-2H3
InChIKeyVVBKRJNVGUQFOQ-UHFFFAOYSA-N
MW249.29 g/mol
LogP3.11
Rot. Bonds4

About 1-[2-fluoro-6-[furan-3-ylmethyl(methyl)amino]phenyl]ethanol

1-[2-fluoro-6-[furan-3-ylmethyl(methyl)amino]phenyl]ethanol (PubChem CID 61422649) has the molecular formula C14H16FNO2 and a molecular weight of 249.29 g/mol. Its IUPAC name is 1-[2-fluoro-6-[furan-3-ylmethyl(methyl)amino]phenyl]ethanol.

Molecular Properties

Compound Name1-[2-fluoro-6-[furan-3-ylmethyl(methyl)amino]phenyl]ethanol
PubChem CID61422649
Molecular FormulaC14H16FNO2
Molecular Weight249.29 g/mol
Exact Mass249.12
IUPAC Name1-[2-fluoro-6-[furan-3-ylmethyl(methyl)amino]phenyl]ethanol
SMILESCC(O)c1c(F)cccc1N(C)Cc1ccoc1
InChIInChI=1S/C14H16FNO2/c1-10(17)14-12(15)4-3-5-13(14)16(2)8-11-6-7-18-9-11/h3-7,9-10,17H,8H2,1-2H3
InChIKeyVVBKRJNVGUQFOQ-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

Analyze 1-[2-fluoro-6-[furan-3-ylmethyl(methyl)amino]phenyl]ethanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[[(E)-3-(furan-2-yl)prop-2-enoyl]-methylamino]benzoic acid
CID 2337135
2-[4-[2-(Furan-2-yl)ethylamino]phenyl]ethanol
CID 51361047
(2S,4R)-7-fluoro-2-(furan-3-yl)-2,3,4,5-tetrahydro-1H-1-benzazepin-4-ol
CID 118712894
2,2,2-Trifluoro-1-[4-fluoro-2-(furan-2-ylmethylamino)phenyl]ethanol
CID 155439060
3-((2E)-3-(2-furyl)prop-2-enoyl)-4-hydroxy-1-methylhydroquinolin-2-one
CID 54698735
1-Ethyl-3-[(2-furylamino)ethyl]-4-hydroxyhydroquinolin-2-one
CID 54677707
N-ethyl-2-methyl-N-(2-methylphenyl)furan-3-carboxamide
CID 52548082
N-(furan-3-ylmethyl)-4-isocyano-N-(2,2,2-trifluoroethyl)-3-(trifluoromethyl)aniline
CID 57771182
1-[2-(4-Fluorophenyl)furan-3-yl]piperidin-4-ol
CID 91285081
4-[4-fluoro-N-[(2-methylfuran-3-yl)methyl]anilino]-2,2-dimethyl-3,4-dihydrochromen-3-ol
CID 173313023
N-[1-(2,5-dimethylfuran-3-yl)ethyl]-5-fluoro-2-methylaniline
CID 43121316
N-[1-(2,5-dimethylfuran-3-yl)ethyl]-4-fluoro-2-methylaniline
CID 43121324

Frequently Asked Questions

What is the IUPAC name of 1-[2-fluoro-6-[furan-3-ylmethyl(methyl)amino]phenyl]ethanol?
The IUPAC name of 1-[2-fluoro-6-[furan-3-ylmethyl(methyl)amino]phenyl]ethanol (CID 61422649) is 1-[2-fluoro-6-[furan-3-ylmethyl(methyl)amino]phenyl]ethanol.
What is the SMILES notation for 1-[2-fluoro-6-[furan-3-ylmethyl(methyl)amino]phenyl]ethanol?
The canonical SMILES for 1-[2-fluoro-6-[furan-3-ylmethyl(methyl)amino]phenyl]ethanol is CC(O)c1c(F)cccc1N(C)Cc1ccoc1.
What is the InChIKey of 1-[2-fluoro-6-[furan-3-ylmethyl(methyl)amino]phenyl]ethanol?
The InChIKey is VVBKRJNVGUQFOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16FNO2/c1-10(17)14-12(15)4-3-5-13(14)16(2)8-11-6-7-18-9-11/h3-7,9-10,17H,8H2,1-2H3.
What are the key properties of 1-[2-fluoro-6-[furan-3-ylmethyl(methyl)amino]phenyl]ethanol?
1-[2-fluoro-6-[furan-3-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-3-ylmethyl(methyl)amino]phenyl]ethanol is sourced from PubChem (CID 61422649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).