2-[[2-chloro-2-(4-fluorophenyl)ethyl]-(2-hydroxyethyl)amino]ethanol

C12H17ClFNO2 — CID 82214488

IUPAC2-[[2-chloro-2-(4-fluorophenyl)ethyl]-(2-hydroxyethyl)amino]ethanol
SMILESOCCN(CCO)CC(Cl)c1ccc(F)cc1
InChIInChI=1S/C12H17ClFNO2/c13-12(9-15(5-7-16)6-8-17)10-1-3-11(14)4-2-10/h1-4,12,16-17H,5-9H2
InChIKeyCYHZFVIKJBRXFP-UHFFFAOYSA-N
MW261.72 g/mol
LogP1.39
Rot. Bonds7

About 2-[[2-chloro-2-(4-fluorophenyl)ethyl]-(2-hydroxyethyl)amino]ethanol

2-[[2-chloro-2-(4-fluorophenyl)ethyl]-(2-hydroxyethyl)amino]ethanol (PubChem CID 82214488) has the molecular formula C12H17ClFNO2 and a molecular weight of 261.72 g/mol. Its IUPAC name is 2-[[2-chloro-2-(4-fluorophenyl)ethyl]-(2-hydroxyethyl)amino]ethanol.

Molecular Properties

Compound Name2-[[2-chloro-2-(4-fluorophenyl)ethyl]-(2-hydroxyethyl)amino]ethanol
PubChem CID82214488
Molecular FormulaC12H17ClFNO2
Molecular Weight261.72 g/mol
Exact Mass261.09
IUPAC Name2-[[2-chloro-2-(4-fluorophenyl)ethyl]-(2-hydroxyethyl)amino]ethanol
SMILESOCCN(CCO)CC(Cl)c1ccc(F)cc1
InChIInChI=1S/C12H17ClFNO2/c13-12(9-15(5-7-16)6-8-17)10-1-3-11(14)4-2-10/h1-4,12,16-17H,5-9H2
InChIKeyCYHZFVIKJBRXFP-UHFFFAOYSA-N
XLogP1.39
TPSA43.70 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.72
LogP ≤ 51.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

2-[[2-chloro-2-(4-propan-2-ylphenyl)ethyl]-(2-hydroxyethyl)amino]ethanol
CID 82214394
2-[(2-chloro-2-phenylethyl)-(2-hydroxyethyl)amino]ethanol
CID 82214215
2-[[2-chloro-2-(4-fluoro-3-methylphenyl)ethyl]-(2-hydroxyethyl)amino]ethanol
CID 82215354
2-chloro-2-(4-fluorophenyl)ethanol
CID 57194845
(1R)-2-[butyl(2-hydroxyethyl)amino]-1-(4-fluorophenyl)ethanol
CID 95170921
2-[ethyl(2-hydroxyethyl)amino]-1-(4-fluorophenyl)ethanol
CID 82215871
2-[[2-chloro-2-[4-(2-methylpropyl)phenyl]ethyl]-ethylamino]ethanol
CID 82215609
2-[[2-chloro-2-(4-ethoxyphenyl)ethyl]-ethylamino]ethanol
CID 82214844
2-[[3-(4-fluorophenyl)-3-(methylamino)propyl]-(2-hydroxyethyl)amino]ethanol
CID 62643635
3-[[2-chloro-2-(4-fluorophenyl)ethyl]-methylamino]propanoic acid
CID 82214526
2-[bis(2-hydroxyethyl)amino]-1-(3,4-difluorophenyl)ethanol
CID 82217071
2-[[3-(ethylamino)-3-(4-fluorophenyl)propyl]-(2-hydroxyethyl)amino]ethanol
CID 62643636

Frequently Asked Questions

What is the IUPAC name of 2-[[2-chloro-2-(4-fluorophenyl)ethyl]-(2-hydroxyethyl)amino]ethanol?
The IUPAC name of 2-[[2-chloro-2-(4-fluorophenyl)ethyl]-(2-hydroxyethyl)amino]ethanol (CID 82214488) is 2-[[2-chloro-2-(4-fluorophenyl)ethyl]-(2-hydroxyethyl)amino]ethanol.
What is the SMILES notation for 2-[[2-chloro-2-(4-fluorophenyl)ethyl]-(2-hydroxyethyl)amino]ethanol?
The canonical SMILES for 2-[[2-chloro-2-(4-fluorophenyl)ethyl]-(2-hydroxyethyl)amino]ethanol is OCCN(CCO)CC(Cl)c1ccc(F)cc1.
What is the InChIKey of 2-[[2-chloro-2-(4-fluorophenyl)ethyl]-(2-hydroxyethyl)amino]ethanol?
The InChIKey is CYHZFVIKJBRXFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17ClFNO2/c13-12(9-15(5-7-16)6-8-17)10-1-3-11(14)4-2-10/h1-4,12,16-17H,5-9H2.
What are the key properties of 2-[[2-chloro-2-(4-fluorophenyl)ethyl]-(2-hydroxyethyl)amino]ethanol?
2-[[2-chloro-2-(4-fluorophenyl)ethyl]-(2-hydroxyethyl)amino]ethanol has a molecular weight of 261.72 g/mol, XLogP of 1.39, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-chloro-2-(4-fluorophenyl)ethyl]-(2-hydroxyethyl)amino]ethanol is sourced from PubChem (CID 82214488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).