2-[(2,4-difluorophenyl)methyl-(2-hydroxyethyl)amino]ethanol

C11H15F2NO2 — CID 23960899

IUPAC2-[(2,4-difluorophenyl)methyl-(2-hydroxyethyl)amino]ethanol
SMILESOCCN(CCO)Cc1ccc(F)cc1F
InChIInChI=1S/C11H15F2NO2/c12-10-2-1-9(11(13)7-10)8-14(3-5-15)4-6-16/h1-2,7,15-16H,3-6,8H2
InChIKeyVHQIQZSXAVZBDS-UHFFFAOYSA-N
MW231.24 g/mol
LogP0.75
Rot. Bonds6

About 2-[(2,4-difluorophenyl)methyl-(2-hydroxyethyl)amino]ethanol

2-[(2,4-difluorophenyl)methyl-(2-hydroxyethyl)amino]ethanol (PubChem CID 23960899) has the molecular formula C11H15F2NO2 and a molecular weight of 231.24 g/mol. Its IUPAC name is 2-[(2,4-difluorophenyl)methyl-(2-hydroxyethyl)amino]ethanol.

Molecular Properties

Compound Name2-[(2,4-difluorophenyl)methyl-(2-hydroxyethyl)amino]ethanol
PubChem CID23960899
Molecular FormulaC11H15F2NO2
Molecular Weight231.24 g/mol
Exact Mass231.11
IUPAC Name2-[(2,4-difluorophenyl)methyl-(2-hydroxyethyl)amino]ethanol
SMILESOCCN(CCO)Cc1ccc(F)cc1F
InChIInChI=1S/C11H15F2NO2/c12-10-2-1-9(11(13)7-10)8-14(3-5-15)4-6-16/h1-2,7,15-16H,3-6,8H2
InChIKeyVHQIQZSXAVZBDS-UHFFFAOYSA-N
XLogP0.75
TPSA43.70 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.24
LogP ≤ 50.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[(2,4-difluorophenyl)methyl-(2-hydroxyethyl)amino]ethanol?
The IUPAC name of 2-[(2,4-difluorophenyl)methyl-(2-hydroxyethyl)amino]ethanol (CID 23960899) is 2-[(2,4-difluorophenyl)methyl-(2-hydroxyethyl)amino]ethanol.
What is the SMILES notation for 2-[(2,4-difluorophenyl)methyl-(2-hydroxyethyl)amino]ethanol?
The canonical SMILES for 2-[(2,4-difluorophenyl)methyl-(2-hydroxyethyl)amino]ethanol is OCCN(CCO)Cc1ccc(F)cc1F.
What is the InChIKey of 2-[(2,4-difluorophenyl)methyl-(2-hydroxyethyl)amino]ethanol?
The InChIKey is VHQIQZSXAVZBDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15F2NO2/c12-10-2-1-9(11(13)7-10)8-14(3-5-15)4-6-16/h1-2,7,15-16H,3-6,8H2.
What are the key properties of 2-[(2,4-difluorophenyl)methyl-(2-hydroxyethyl)amino]ethanol?
2-[(2,4-difluorophenyl)methyl-(2-hydroxyethyl)amino]ethanol has a molecular weight of 231.24 g/mol, XLogP of 0.75, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,4-difluorophenyl)methyl-(2-hydroxyethyl)amino]ethanol is sourced from PubChem (CID 23960899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).