1-(2,5-difluorophenyl)-2-[ethyl(2-hydroxyethyl)amino]ethanol

C12H17F2NO2 — CID 82217059

IUPAC1-(2,5-difluorophenyl)-2-[ethyl(2-hydroxyethyl)amino]ethanol
SMILESCCN(CCO)CC(O)c1cc(F)ccc1F
InChIInChI=1S/C12H17F2NO2/c1-2-15(5-6-16)8-12(17)10-7-9(13)3-4-11(10)14/h3-4,7,12,16-17H,2,5-6,8H2,1H3
InChIKeyHGDAMFNKEDCDAE-UHFFFAOYSA-N
MW245.27 g/mol
LogP1.31
Rot. Bonds6

About 1-(2,5-difluorophenyl)-2-[ethyl(2-hydroxyethyl)amino]ethanol

1-(2,5-difluorophenyl)-2-[ethyl(2-hydroxyethyl)amino]ethanol (PubChem CID 82217059) has the molecular formula C12H17F2NO2 and a molecular weight of 245.27 g/mol. Its IUPAC name is 1-(2,5-difluorophenyl)-2-[ethyl(2-hydroxyethyl)amino]ethanol.

Molecular Properties

Compound Name1-(2,5-difluorophenyl)-2-[ethyl(2-hydroxyethyl)amino]ethanol
PubChem CID82217059
Molecular FormulaC12H17F2NO2
Molecular Weight245.27 g/mol
Exact Mass245.12
IUPAC Name1-(2,5-difluorophenyl)-2-[ethyl(2-hydroxyethyl)amino]ethanol
SMILESCCN(CCO)CC(O)c1cc(F)ccc1F
InChIInChI=1S/C12H17F2NO2/c1-2-15(5-6-16)8-12(17)10-7-9(13)3-4-11(10)14/h3-4,7,12,16-17H,2,5-6,8H2,1H3
InChIKeyHGDAMFNKEDCDAE-UHFFFAOYSA-N
XLogP1.31
TPSA43.70 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.27
LogP ≤ 51.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-(2,5-difluorophenyl)-2-[ethyl(2-hydroxyethyl)amino]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

(1R)-2-[benzyl(2-hydroxyethyl)amino]-1-(2,5-difluorophenyl)ethanol
CID 94957732
2-[ethyl(2-hydroxyethyl)amino]-1-(4-fluorophenyl)ethanol
CID 82215871
methyl 3-[[2-(2,4-difluorophenyl)-2-hydroxyethyl]-ethylamino]propanoate
CID 110910651
1-(2-fluorophenyl)-2-[2-hydroxyethyl(propyl)amino]ethanol
CID 56811844
3-[[2-(4-fluoro-2-methylphenyl)-2-hydroxyethyl]-(2-hydroxyethyl)amino]propan-1-ol
CID 111565095
2-[cyclopropylmethyl(ethyl)amino]-1-(2,4-difluorophenyl)ethanol
CID 111118143
1-(2-aminophenyl)-2-[ethyl(2-hydroxyethyl)amino]ethanol
CID 62266300
2-[cyclohexyl(methyl)amino]-1-(2,5-difluorophenyl)ethanol
CID 82217055
1-(2,5-difluorophenyl)-2-[3-methoxypropyl(methyl)amino]ethanol
CID 110908139
1-(2,5-difluorophenyl)-3-methylbutan-1-ol
CID 61100112
2-[bis(2-hydroxyethyl)amino]-1-(3,4-difluorophenyl)ethanol
CID 82217071
1-(2,5-difluorophenyl)-2-(ethoxyamino)ethanol
CID 60969966

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-difluorophenyl)-2-[ethyl(2-hydroxyethyl)amino]ethanol?
The IUPAC name of 1-(2,5-difluorophenyl)-2-[ethyl(2-hydroxyethyl)amino]ethanol (CID 82217059) is 1-(2,5-difluorophenyl)-2-[ethyl(2-hydroxyethyl)amino]ethanol.
What is the SMILES notation for 1-(2,5-difluorophenyl)-2-[ethyl(2-hydroxyethyl)amino]ethanol?
The canonical SMILES for 1-(2,5-difluorophenyl)-2-[ethyl(2-hydroxyethyl)amino]ethanol is CCN(CCO)CC(O)c1cc(F)ccc1F.
What is the InChIKey of 1-(2,5-difluorophenyl)-2-[ethyl(2-hydroxyethyl)amino]ethanol?
The InChIKey is HGDAMFNKEDCDAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17F2NO2/c1-2-15(5-6-16)8-12(17)10-7-9(13)3-4-11(10)14/h3-4,7,12,16-17H,2,5-6,8H2,1H3.
What are the key properties of 1-(2,5-difluorophenyl)-2-[ethyl(2-hydroxyethyl)amino]ethanol?
1-(2,5-difluorophenyl)-2-[ethyl(2-hydroxyethyl)amino]ethanol has a molecular weight of 245.27 g/mol, XLogP of 1.31, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-difluorophenyl)-2-[ethyl(2-hydroxyethyl)amino]ethanol is sourced from PubChem (CID 82217059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).