2-[2-[(2-chloro-4-fluorophenyl)methylamino]ethoxy]ethanol

C11H15ClFNO2 — CID 60689345

IUPAC2-[2-[(2-chloro-4-fluorophenyl)methylamino]ethoxy]ethanol
SMILESOCCOCCNCc1ccc(F)cc1Cl
InChIInChI=1S/C11H15ClFNO2/c12-11-7-10(13)2-1-9(11)8-14-3-5-16-6-4-15/h1-2,7,14-15H,3-6,8H2
InChIKeyUTEPAVRPDMKWRR-UHFFFAOYSA-N
MW247.70 g/mol
LogP1.58
Rot. Bonds7

About 2-[2-[(2-chloro-4-fluorophenyl)methylamino]ethoxy]ethanol

2-[2-[(2-chloro-4-fluorophenyl)methylamino]ethoxy]ethanol (PubChem CID 60689345) has the molecular formula C11H15ClFNO2 and a molecular weight of 247.70 g/mol. Its IUPAC name is 2-[2-[(2-chloro-4-fluorophenyl)methylamino]ethoxy]ethanol.

Molecular Properties

Compound Name2-[2-[(2-chloro-4-fluorophenyl)methylamino]ethoxy]ethanol
PubChem CID60689345
Molecular FormulaC11H15ClFNO2
Molecular Weight247.70 g/mol
Exact Mass247.08
IUPAC Name2-[2-[(2-chloro-4-fluorophenyl)methylamino]ethoxy]ethanol
SMILESOCCOCCNCc1ccc(F)cc1Cl
InChIInChI=1S/C11H15ClFNO2/c12-11-7-10(13)2-1-9(11)8-14-3-5-16-6-4-15/h1-2,7,14-15H,3-6,8H2
InChIKeyUTEPAVRPDMKWRR-UHFFFAOYSA-N
XLogP1.58
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.70
LogP ≤ 51.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-[2-[(2-chloro-4-fluorophenyl)methylamino]ethoxy]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

2-butoxy-N-[(2-chloro-4-fluorophenyl)methyl]ethanamine
CID 61170307
2-[2-[(2-chloro-4-methylphenyl)methylamino]ethoxy]ethanol
CID 106862592
N-[(2-chloro-4-fluorophenyl)methyl]-2-(2,2-difluoroethoxy)ethanamine
CID 103081168
2-[2-[[2-bromo-4-[(2-chloro-4-fluorophenyl)methoxy]-5-methoxyphenyl]methylamino]ethoxy]ethanol
CID 66534836
2-[3-[(2-bromo-4-fluorophenyl)methylamino]propoxy]ethanol
CID 103992524
2-[2-[(2-bromo-4-chlorophenyl)methylamino]ethoxy]ethanol
CID 81496345
2-[3-[(2-chloro-4-methylphenyl)methylamino]propoxy]ethanol
CID 106309804
2-[2-[(2-chloro-4,5-diethoxyphenyl)methylamino]ethoxy]ethanol
CID 66532424
2-[2-[[5-chloro-2-[(2,4-dichlorophenyl)methoxy]phenyl]methylamino]ethoxy]ethanol;hydrochloride
CID 17155291
N-[(2-chloro-4-fluorophenyl)methyl]-5-methoxypentan-1-amine
CID 103792840
2-chloro-4-fluoro-N-[2-(2-hydroxyethoxy)ethyl]benzenesulfonamide
CID 55083819
4-[(2-chloro-4-fluorophenyl)methylamino]butan-2-ol
CID 64913736

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(2-chloro-4-fluorophenyl)methylamino]ethoxy]ethanol?
The IUPAC name of 2-[2-[(2-chloro-4-fluorophenyl)methylamino]ethoxy]ethanol (CID 60689345) is 2-[2-[(2-chloro-4-fluorophenyl)methylamino]ethoxy]ethanol.
What is the SMILES notation for 2-[2-[(2-chloro-4-fluorophenyl)methylamino]ethoxy]ethanol?
The canonical SMILES for 2-[2-[(2-chloro-4-fluorophenyl)methylamino]ethoxy]ethanol is OCCOCCNCc1ccc(F)cc1Cl.
What is the InChIKey of 2-[2-[(2-chloro-4-fluorophenyl)methylamino]ethoxy]ethanol?
The InChIKey is UTEPAVRPDMKWRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15ClFNO2/c12-11-7-10(13)2-1-9(11)8-14-3-5-16-6-4-15/h1-2,7,14-15H,3-6,8H2.
What are the key properties of 2-[2-[(2-chloro-4-fluorophenyl)methylamino]ethoxy]ethanol?
2-[2-[(2-chloro-4-fluorophenyl)methylamino]ethoxy]ethanol has a molecular weight of 247.70 g/mol, XLogP of 1.58, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(2-chloro-4-fluorophenyl)methylamino]ethoxy]ethanol is sourced from PubChem (CID 60689345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).