2-[2-(2-chloro-6-fluorophenyl)ethylamino]ethanol

C10H13ClFNO — CID 94682382

IUPAC2-[2-(2-chloro-6-fluorophenyl)ethylamino]ethanol
SMILESOCCNCCc1c(F)cccc1Cl
InChIInChI=1S/C10H13ClFNO/c11-9-2-1-3-10(12)8(9)4-5-13-6-7-14/h1-3,13-14H,4-7H2
InChIKeyWLIYKUOHDUKZLX-UHFFFAOYSA-N
MW217.67 g/mol
LogP1.60
Rot. Bonds5

About 2-[2-(2-chloro-6-fluorophenyl)ethylamino]ethanol

2-[2-(2-chloro-6-fluorophenyl)ethylamino]ethanol (PubChem CID 94682382) has the molecular formula C10H13ClFNO and a molecular weight of 217.67 g/mol. Its IUPAC name is 2-[2-(2-chloro-6-fluorophenyl)ethylamino]ethanol.

Molecular Properties

Compound Name2-[2-(2-chloro-6-fluorophenyl)ethylamino]ethanol
PubChem CID94682382
Molecular FormulaC10H13ClFNO
Molecular Weight217.67 g/mol
Exact Mass217.07
IUPAC Name2-[2-(2-chloro-6-fluorophenyl)ethylamino]ethanol
SMILESOCCNCCc1c(F)cccc1Cl
InChIInChI=1S/C10H13ClFNO/c11-9-2-1-3-10(12)8(9)4-5-13-6-7-14/h1-3,13-14H,4-7H2
InChIKeyWLIYKUOHDUKZLX-UHFFFAOYSA-N
XLogP1.60
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.67
LogP ≤ 51.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-(2-chloro-6-fluorophenyl)-N-methylethanamine
CID 43163676
2-[2-[(2,6-dichlorophenyl)methylamino]ethylamino]ethanol;dihydrochloride
CID 17294838
2-(2-bromoethyl)-1-chloro-3-fluorobenzene
CID 53403497
N-[(2-chloro-6-fluorophenyl)methyl]-2-(4-fluorophenyl)ethanamine
CID 4718315
N-[2-(2-chloro-6-fluorophenyl)ethyl]cyclopentanamine
CID 60984156
N'-[2-(2-chloro-6-fluorophenyl)ethyl]-N'-methyl-N-propylethane-1,2-diamine
CID 113409083
2-[3-[(2-chloro-6-fluorophenyl)methylamino]propoxy]ethanol
CID 103992408
1-chloro-2-(3-chlorobut-3-enyl)-3-fluorobenzene
CID 24722124
N-[2-(2-chloro-6-fluorophenyl)ethyl]-2-(2-hydroxyphenyl)acetamide
CID 71917928
N-[(2-chloro-6-fluorophenyl)methyl]-2-pyridin-4-ylethanamine
CID 54944255
2-[2-[[2-chloro-4-[(2-chloro-6-fluorophenyl)methoxy]-5-methoxyphenyl]methylamino]ethylamino]ethanol
CID 66537733
2-[(2-chloro-6-methylphenyl)methylamino]ethanol
CID 54352748

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-chloro-6-fluorophenyl)ethylamino]ethanol?
The IUPAC name of 2-[2-(2-chloro-6-fluorophenyl)ethylamino]ethanol (CID 94682382) is 2-[2-(2-chloro-6-fluorophenyl)ethylamino]ethanol.
What is the SMILES notation for 2-[2-(2-chloro-6-fluorophenyl)ethylamino]ethanol?
The canonical SMILES for 2-[2-(2-chloro-6-fluorophenyl)ethylamino]ethanol is OCCNCCc1c(F)cccc1Cl.
What is the InChIKey of 2-[2-(2-chloro-6-fluorophenyl)ethylamino]ethanol?
The InChIKey is WLIYKUOHDUKZLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13ClFNO/c11-9-2-1-3-10(12)8(9)4-5-13-6-7-14/h1-3,13-14H,4-7H2.
What are the key properties of 2-[2-(2-chloro-6-fluorophenyl)ethylamino]ethanol?
2-[2-(2-chloro-6-fluorophenyl)ethylamino]ethanol has a molecular weight of 217.67 g/mol, XLogP of 1.60, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-chloro-6-fluorophenyl)ethylamino]ethanol is sourced from PubChem (CID 94682382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).