1-[4-(difluoromethoxy)phenyl]-2-[(2,5-difluorophenyl)methylamino]ethanol

C16H15F4NO2 — CID 111424611

IUPAC1-[4-(difluoromethoxy)phenyl]-2-[(2,5-difluorophenyl)methylamino]ethanol
SMILESOC(CNCc1cc(F)ccc1F)c1ccc(OC(F)F)cc1
InChIInChI=1S/C16H15F4NO2/c17-12-3-6-14(18)11(7-12)8-21-9-15(22)10-1-4-13(5-2-10)23-16(19)20/h1-7,15-16,21-22H,8-9H2
InChIKeyHGDZSLNEMLGHAL-UHFFFAOYSA-N
MW329.29 g/mol
LogP3.39
Rot. Bonds7

About 1-[4-(difluoromethoxy)phenyl]-2-[(2,5-difluorophenyl)methylamino]ethanol

1-[4-(difluoromethoxy)phenyl]-2-[(2,5-difluorophenyl)methylamino]ethanol (PubChem CID 111424611) has the molecular formula C16H15F4NO2 and a molecular weight of 329.29 g/mol. Its IUPAC name is 1-[4-(difluoromethoxy)phenyl]-2-[(2,5-difluorophenyl)methylamino]ethanol.

Molecular Properties

Compound Name1-[4-(difluoromethoxy)phenyl]-2-[(2,5-difluorophenyl)methylamino]ethanol
PubChem CID111424611
Molecular FormulaC16H15F4NO2
Molecular Weight329.29 g/mol
Exact Mass329.10
IUPAC Name1-[4-(difluoromethoxy)phenyl]-2-[(2,5-difluorophenyl)methylamino]ethanol
SMILESOC(CNCc1cc(F)ccc1F)c1ccc(OC(F)F)cc1
InChIInChI=1S/C16H15F4NO2/c17-12-3-6-14(18)11(7-12)8-21-9-15(22)10-1-4-13(5-2-10)23-16(19)20/h1-7,15-16,21-22H,8-9H2
InChIKeyHGDZSLNEMLGHAL-UHFFFAOYSA-N
XLogP3.39
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.29
LogP ≤ 53.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[4-(difluoromethoxy)phenyl]-2-(2,5-difluorophenyl)ethanol
CID 63893268
2-[[4-(difluoromethoxy)phenyl]methylamino]-1-(4-fluorophenyl)ethanol
CID 134033680
1-[4-(difluoromethoxy)phenyl]-N-[(2,5-difluorophenyl)methyl]methanamine
CID 43312744
2-[(2,5-difluorophenyl)methylamino]-1-phenylethanol
CID 43499154
1-[4-(difluoromethoxy)phenyl]-2-[(3-fluoro-4-methylphenyl)methylamino]ethanol
CID 110902096
2-[(2,4-dimethoxyphenyl)methylamino]-1-(4-fluorophenyl)ethanol
CID 73211515
1-(2,6-difluorophenyl)-2-[(2,5-difluorophenyl)methylamino]ethanol
CID 63794992
1-[(2,5-difluorophenyl)methyl]-3-[2-hydroxy-2-(4-methoxyphenyl)ethyl]urea
CID 111102262
1-[(2,5-difluorophenyl)methylamino]-3-methylbutan-2-ol
CID 111421909
2-[(3-fluorophenyl)methylamino]-1-(4-propan-2-yloxyphenyl)ethanol
CID 111422221
1-phenyl-2-[(2,4,5-trifluorophenyl)methylamino]ethanol
CID 103792326
N-[2-[4-(difluoromethoxy)phenyl]-2-hydroxyethyl]-2-methylpropanamide
CID 111424743

Frequently Asked Questions

What is the IUPAC name of 1-[4-(difluoromethoxy)phenyl]-2-[(2,5-difluorophenyl)methylamino]ethanol?
The IUPAC name of 1-[4-(difluoromethoxy)phenyl]-2-[(2,5-difluorophenyl)methylamino]ethanol (CID 111424611) is 1-[4-(difluoromethoxy)phenyl]-2-[(2,5-difluorophenyl)methylamino]ethanol.
What is the SMILES notation for 1-[4-(difluoromethoxy)phenyl]-2-[(2,5-difluorophenyl)methylamino]ethanol?
The canonical SMILES for 1-[4-(difluoromethoxy)phenyl]-2-[(2,5-difluorophenyl)methylamino]ethanol is OC(CNCc1cc(F)ccc1F)c1ccc(OC(F)F)cc1.
What is the InChIKey of 1-[4-(difluoromethoxy)phenyl]-2-[(2,5-difluorophenyl)methylamino]ethanol?
The InChIKey is HGDZSLNEMLGHAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15F4NO2/c17-12-3-6-14(18)11(7-12)8-21-9-15(22)10-1-4-13(5-2-10)23-16(19)20/h1-7,15-16,21-22H,8-9H2.
What are the key properties of 1-[4-(difluoromethoxy)phenyl]-2-[(2,5-difluorophenyl)methylamino]ethanol?
1-[4-(difluoromethoxy)phenyl]-2-[(2,5-difluorophenyl)methylamino]ethanol has a molecular weight of 329.29 g/mol, XLogP of 3.39, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(difluoromethoxy)phenyl]-2-[(2,5-difluorophenyl)methylamino]ethanol is sourced from PubChem (CID 111424611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).