1-(2,6-difluorophenyl)-2-(furan-3-ylmethylamino)ethanol

C13H13F2NO2 — CID 115644826

IUPAC1-(2,6-difluorophenyl)-2-(furan-3-ylmethylamino)ethanol
SMILESOC(CNCc1ccoc1)c1c(F)cccc1F
InChIInChI=1S/C13H13F2NO2/c14-10-2-1-3-11(15)13(10)12(17)7-16-6-9-4-5-18-8-9/h1-5,8,12,16-17H,6-7H2
InChIKeyKBNQDPBCXPUMHU-UHFFFAOYSA-N
MW253.25 g/mol
LogP2.38
Rot. Bonds5

About 1-(2,6-difluorophenyl)-2-(furan-3-ylmethylamino)ethanol

1-(2,6-difluorophenyl)-2-(furan-3-ylmethylamino)ethanol (PubChem CID 115644826) has the molecular formula C13H13F2NO2 and a molecular weight of 253.25 g/mol. Its IUPAC name is 1-(2,6-difluorophenyl)-2-(furan-3-ylmethylamino)ethanol.

Molecular Properties

Compound Name1-(2,6-difluorophenyl)-2-(furan-3-ylmethylamino)ethanol
PubChem CID115644826
Molecular FormulaC13H13F2NO2
Molecular Weight253.25 g/mol
Exact Mass253.09
IUPAC Name1-(2,6-difluorophenyl)-2-(furan-3-ylmethylamino)ethanol
SMILESOC(CNCc1ccoc1)c1c(F)cccc1F
InChIInChI=1S/C13H13F2NO2/c14-10-2-1-3-11(15)13(10)12(17)7-16-6-9-4-5-18-8-9/h1-5,8,12,16-17H,6-7H2
InChIKeyKBNQDPBCXPUMHU-UHFFFAOYSA-N
XLogP2.38
TPSA45.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.25
LogP ≤ 52.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(6-chloro-3-pyridinyl)methylamino]-1-(2,6-difluorophenyl)ethanol
CID 110898133
2-(furan-3-ylmethylamino)-1-[3-(trifluoromethyl)phenyl]ethanol
CID 115618244
(2S)-3-(furan-3-ylmethylamino)propane-1,2-diol
CID 104874092
2-(2,2-difluoroethylamino)-1-(2,6-difluorophenyl)ethanol
CID 115406681
1-(2,6-difluorophenyl)-2-[(2,5-difluorophenyl)methylamino]ethanol
CID 63794992
N-[(2-chloro-6-fluorophenyl)methyl]-1-(furan-3-yl)methanamine
CID 115585176
1-(furan-3-ylmethylamino)-3,3-dimethylbutan-2-ol
CID 115623547
1-(furan-3-yl)-N-(furan-3-ylmethyl)methanamine
CID 115607346
1-(2,6-difluorophenyl)-2-(prop-2-ynylamino)ethanol
CID 60903674
1-(2,6-difluorophenyl)-2-(furan-3-yl)-N-methylethanamine
CID 83183458
2-(2,3-difluoroanilino)-1-(2,6-difluorophenyl)ethanol
CID 61074855
1-(2,6-difluorophenyl)-2-(2-pyrazol-1-ylethylamino)ethanol
CID 61462656

Frequently Asked Questions

What is the IUPAC name of 1-(2,6-difluorophenyl)-2-(furan-3-ylmethylamino)ethanol?
The IUPAC name of 1-(2,6-difluorophenyl)-2-(furan-3-ylmethylamino)ethanol (CID 115644826) is 1-(2,6-difluorophenyl)-2-(furan-3-ylmethylamino)ethanol.
What is the SMILES notation for 1-(2,6-difluorophenyl)-2-(furan-3-ylmethylamino)ethanol?
The canonical SMILES for 1-(2,6-difluorophenyl)-2-(furan-3-ylmethylamino)ethanol is OC(CNCc1ccoc1)c1c(F)cccc1F.
What is the InChIKey of 1-(2,6-difluorophenyl)-2-(furan-3-ylmethylamino)ethanol?
The InChIKey is KBNQDPBCXPUMHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13F2NO2/c14-10-2-1-3-11(15)13(10)12(17)7-16-6-9-4-5-18-8-9/h1-5,8,12,16-17H,6-7H2.
What are the key properties of 1-(2,6-difluorophenyl)-2-(furan-3-ylmethylamino)ethanol?
1-(2,6-difluorophenyl)-2-(furan-3-ylmethylamino)ethanol has a molecular weight of 253.25 g/mol, XLogP of 2.38, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,6-difluorophenyl)-2-(furan-3-ylmethylamino)ethanol is sourced from PubChem (CID 115644826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).