1-(2-chloro-6-fluorophenyl)-2-(2-methoxyethylamino)ethanol

C11H15ClFNO2 — CID 62774538

IUPAC1-(2-chloro-6-fluorophenyl)-2-(2-methoxyethylamino)ethanol
SMILESCOCCNCC(O)c1c(F)cccc1Cl
InChIInChI=1S/C11H15ClFNO2/c1-16-6-5-14-7-10(15)11-8(12)3-2-4-9(11)13/h2-4,10,14-15H,5-7H2,1H3
InChIKeyHHKWSSABRYJKLR-UHFFFAOYSA-N
MW247.70 g/mol
LogP1.75
Rot. Bonds6

About 1-(2-chloro-6-fluorophenyl)-2-(2-methoxyethylamino)ethanol

1-(2-chloro-6-fluorophenyl)-2-(2-methoxyethylamino)ethanol (PubChem CID 62774538) has the molecular formula C11H15ClFNO2 and a molecular weight of 247.70 g/mol. Its IUPAC name is 1-(2-chloro-6-fluorophenyl)-2-(2-methoxyethylamino)ethanol.

Molecular Properties

Compound Name1-(2-chloro-6-fluorophenyl)-2-(2-methoxyethylamino)ethanol
PubChem CID62774538
Molecular FormulaC11H15ClFNO2
Molecular Weight247.70 g/mol
Exact Mass247.08
IUPAC Name1-(2-chloro-6-fluorophenyl)-2-(2-methoxyethylamino)ethanol
SMILESCOCCNCC(O)c1c(F)cccc1Cl
InChIInChI=1S/C11H15ClFNO2/c1-16-6-5-14-7-10(15)11-8(12)3-2-4-9(11)13/h2-4,10,14-15H,5-7H2,1H3
InChIKeyHHKWSSABRYJKLR-UHFFFAOYSA-N
XLogP1.75
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.70
LogP ≤ 51.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-(2-chloro-6-fluorophenyl)-3-(2-methoxyethoxy)propan-1-ol
CID 114275160
2-(2-butoxyethylamino)-1-(2,6-difluorophenyl)ethanol
CID 61171635
4-(2-chloro-6-fluorophenyl)-N-(2-methoxyethyl)-2-methylbutan-1-amine
CID 64665475
2-(2,6-dichlorophenyl)-N-(2-methoxyethyl)-3-methylbutan-1-amine
CID 66241764
1-(2,6-difluorophenyl)-2-(2-methoxyethoxyamino)ethanol
CID 82722763
2-chloro-6-fluoro-N-(2-methoxyethyl)benzamide
CID 17217215
1-(2-chloro-6-fluorophenyl)-2-propoxyethanol
CID 79567112
1-(3-chloro-4-methylphenyl)-2-(2-methoxyethylamino)ethanol
CID 106818725
1-(2,6-difluorophenyl)-2-(4-methoxybutan-2-ylamino)ethanol
CID 64603633
1-[3-(difluoromethyl)phenyl]-2-(2-methoxyethylamino)ethanol
CID 115529301
1-(4-chloro-3-fluorophenyl)-3-(2-methoxyethylamino)propan-2-ol
CID 107889050
1-(2,6-difluorophenyl)-2-(prop-2-ynylamino)ethanol
CID 60903674

Frequently Asked Questions

What is the IUPAC name of 1-(2-chloro-6-fluorophenyl)-2-(2-methoxyethylamino)ethanol?
The IUPAC name of 1-(2-chloro-6-fluorophenyl)-2-(2-methoxyethylamino)ethanol (CID 62774538) is 1-(2-chloro-6-fluorophenyl)-2-(2-methoxyethylamino)ethanol.
What is the SMILES notation for 1-(2-chloro-6-fluorophenyl)-2-(2-methoxyethylamino)ethanol?
The canonical SMILES for 1-(2-chloro-6-fluorophenyl)-2-(2-methoxyethylamino)ethanol is COCCNCC(O)c1c(F)cccc1Cl.
What is the InChIKey of 1-(2-chloro-6-fluorophenyl)-2-(2-methoxyethylamino)ethanol?
The InChIKey is HHKWSSABRYJKLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15ClFNO2/c1-16-6-5-14-7-10(15)11-8(12)3-2-4-9(11)13/h2-4,10,14-15H,5-7H2,1H3.
What are the key properties of 1-(2-chloro-6-fluorophenyl)-2-(2-methoxyethylamino)ethanol?
1-(2-chloro-6-fluorophenyl)-2-(2-methoxyethylamino)ethanol has a molecular weight of 247.70 g/mol, XLogP of 1.75, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chloro-6-fluorophenyl)-2-(2-methoxyethylamino)ethanol is sourced from PubChem (CID 62774538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).