1-(2,6-difluorophenyl)-2-[(2,5-difluorophenyl)methylamino]ethanol

C15H13F4NO — CID 63794992

IUPAC1-(2,6-difluorophenyl)-2-[(2,5-difluorophenyl)methylamino]ethanol
SMILESOC(CNCc1cc(F)ccc1F)c1c(F)cccc1F
InChIInChI=1S/C15H13F4NO/c16-10-4-5-11(17)9(6-10)7-20-8-14(21)15-12(18)2-1-3-13(15)19/h1-6,14,20-21H,7-8H2
InChIKeyCPJYLBKMHUMARQ-UHFFFAOYSA-N
MW299.27 g/mol
LogP3.07
Rot. Bonds5

About 1-(2,6-difluorophenyl)-2-[(2,5-difluorophenyl)methylamino]ethanol

1-(2,6-difluorophenyl)-2-[(2,5-difluorophenyl)methylamino]ethanol (PubChem CID 63794992) has the molecular formula C15H13F4NO and a molecular weight of 299.27 g/mol. Its IUPAC name is 1-(2,6-difluorophenyl)-2-[(2,5-difluorophenyl)methylamino]ethanol.

Molecular Properties

Compound Name1-(2,6-difluorophenyl)-2-[(2,5-difluorophenyl)methylamino]ethanol
PubChem CID63794992
Molecular FormulaC15H13F4NO
Molecular Weight299.27 g/mol
Exact Mass299.09
IUPAC Name1-(2,6-difluorophenyl)-2-[(2,5-difluorophenyl)methylamino]ethanol
SMILESOC(CNCc1cc(F)ccc1F)c1c(F)cccc1F
InChIInChI=1S/C15H13F4NO/c16-10-4-5-11(17)9(6-10)7-20-8-14(21)15-12(18)2-1-3-13(15)19/h1-6,14,20-21H,7-8H2
InChIKeyCPJYLBKMHUMARQ-UHFFFAOYSA-N
XLogP3.07
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.27
LogP ≤ 53.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(2,5-difluorophenyl)methylamino]-1-phenylethanol
CID 43499154
2-[[[2-(2,6-difluorophenyl)-2-hydroxyethyl]amino]methyl]-4-methylphenol
CID 111449320
1-[(2,5-difluorophenyl)methylamino]-3-methylbutan-2-ol
CID 111421909
2-(2,2-difluoroethylamino)-1-(2,6-difluorophenyl)ethanol
CID 115406681
[(2,5-difluorophenyl)methylamino]methanol
CID 115228968
N-[(2,5-difluorophenyl)methyl]ethanamine
CID 43163700
1-[4-(difluoromethoxy)phenyl]-2-[(2,5-difluorophenyl)methylamino]ethanol
CID 111424611
2-[[[2-(2,6-difluorophenyl)-2-hydroxyethyl]amino]methyl]-4-nitrophenol
CID 111449316
1-[(2,5-difluorophenyl)methylamino]-4,4-dimethylpentan-2-ol
CID 103675866
1-(2,6-difluorophenyl)-2-(furan-3-ylmethylamino)ethanol
CID 115644826
1-(2,6-difluorophenyl)-2-(4-fluoro-2-iodoanilino)ethanol
CID 79769099
1-(2,6-difluorophenyl)-2-(prop-2-ynylamino)ethanol
CID 60903674

Frequently Asked Questions

What is the IUPAC name of 1-(2,6-difluorophenyl)-2-[(2,5-difluorophenyl)methylamino]ethanol?
The IUPAC name of 1-(2,6-difluorophenyl)-2-[(2,5-difluorophenyl)methylamino]ethanol (CID 63794992) is 1-(2,6-difluorophenyl)-2-[(2,5-difluorophenyl)methylamino]ethanol.
What is the SMILES notation for 1-(2,6-difluorophenyl)-2-[(2,5-difluorophenyl)methylamino]ethanol?
The canonical SMILES for 1-(2,6-difluorophenyl)-2-[(2,5-difluorophenyl)methylamino]ethanol is OC(CNCc1cc(F)ccc1F)c1c(F)cccc1F.
What is the InChIKey of 1-(2,6-difluorophenyl)-2-[(2,5-difluorophenyl)methylamino]ethanol?
The InChIKey is CPJYLBKMHUMARQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13F4NO/c16-10-4-5-11(17)9(6-10)7-20-8-14(21)15-12(18)2-1-3-13(15)19/h1-6,14,20-21H,7-8H2.
What are the key properties of 1-(2,6-difluorophenyl)-2-[(2,5-difluorophenyl)methylamino]ethanol?
1-(2,6-difluorophenyl)-2-[(2,5-difluorophenyl)methylamino]ethanol has a molecular weight of 299.27 g/mol, XLogP of 3.07, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,6-difluorophenyl)-2-[(2,5-difluorophenyl)methylamino]ethanol is sourced from PubChem (CID 63794992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).