1-(2,6-difluorophenyl)-2-[2-ethoxyethyl(ethyl)amino]ethanol

C14H21F2NO2 — CID 111108552

IUPAC1-(2,6-difluorophenyl)-2-[2-ethoxyethyl(ethyl)amino]ethanol
SMILESCCOCCN(CC)CC(O)c1c(F)cccc1F
InChIInChI=1S/C14H21F2NO2/c1-3-17(8-9-19-4-2)10-13(18)14-11(15)6-5-7-12(14)16/h5-7,13,18H,3-4,8-10H2,1-2H3
InChIKeySGNVUAPTLLSIJT-UHFFFAOYSA-N
MW273.32 g/mol
LogP2.36
Rot. Bonds8

About 1-(2,6-difluorophenyl)-2-[2-ethoxyethyl(ethyl)amino]ethanol

1-(2,6-difluorophenyl)-2-[2-ethoxyethyl(ethyl)amino]ethanol (PubChem CID 111108552) has the molecular formula C14H21F2NO2 and a molecular weight of 273.32 g/mol. Its IUPAC name is 1-(2,6-difluorophenyl)-2-[2-ethoxyethyl(ethyl)amino]ethanol.

Molecular Properties

Compound Name1-(2,6-difluorophenyl)-2-[2-ethoxyethyl(ethyl)amino]ethanol
PubChem CID111108552
Molecular FormulaC14H21F2NO2
Molecular Weight273.32 g/mol
Exact Mass273.15
IUPAC Name1-(2,6-difluorophenyl)-2-[2-ethoxyethyl(ethyl)amino]ethanol
SMILESCCOCCN(CC)CC(O)c1c(F)cccc1F
InChIInChI=1S/C14H21F2NO2/c1-3-17(8-9-19-4-2)10-13(18)14-11(15)6-5-7-12(14)16/h5-7,13,18H,3-4,8-10H2,1-2H3
InChIKeySGNVUAPTLLSIJT-UHFFFAOYSA-N
XLogP2.36
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.32
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-(2,6-difluorophenyl)-2-[2-hydroxyethyl(2-methoxyethyl)amino]ethanol
CID 111103219
1-[2-[bis(2-ethoxyethyl)amino]-6-fluorophenyl]ethanol
CID 82939297
1-(2,6-difluorophenyl)-2-[2-ethoxyethyl(ethyl)amino]ethanone
CID 63698278
2-[[bis(2-ethoxyethyl)amino]methyl]-6-fluorophenol
CID 115958911
2-[2-ethoxyethyl(ethyl)amino]-1-(4-propan-2-yloxyphenyl)ethanol
CID 63692094
N-(2-ethoxyethyl)-N-ethyl-3-fluoro-2-[1-(methylamino)ethyl]aniline
CID 63697732
2-[2-ethoxyethyl(ethyl)amino]-1-(2-fluorophenyl)ethanone
CID 63696521
1-(2,6-difluorophenyl)-2-[ethyl-[(1-methylpyrazol-4-yl)methyl]amino]ethanol
CID 110913203
2-[cyclopropyl(ethyl)amino]-1-(2,6-difluorophenyl)ethanol
CID 110897812
1-[2-ethoxyethyl(ethyl)amino]-3,3-dimethylbutan-2-ol
CID 63691569
1-(3-bromophenyl)-3-[2-ethoxyethyl(ethyl)amino]propan-1-ol
CID 63692314
1-(2,6-difluorophenyl)-2-[methyl(2-methylbutyl)amino]ethanol
CID 111113593

Frequently Asked Questions

What is the IUPAC name of 1-(2,6-difluorophenyl)-2-[2-ethoxyethyl(ethyl)amino]ethanol?
The IUPAC name of 1-(2,6-difluorophenyl)-2-[2-ethoxyethyl(ethyl)amino]ethanol (CID 111108552) is 1-(2,6-difluorophenyl)-2-[2-ethoxyethyl(ethyl)amino]ethanol.
What is the SMILES notation for 1-(2,6-difluorophenyl)-2-[2-ethoxyethyl(ethyl)amino]ethanol?
The canonical SMILES for 1-(2,6-difluorophenyl)-2-[2-ethoxyethyl(ethyl)amino]ethanol is CCOCCN(CC)CC(O)c1c(F)cccc1F.
What is the InChIKey of 1-(2,6-difluorophenyl)-2-[2-ethoxyethyl(ethyl)amino]ethanol?
The InChIKey is SGNVUAPTLLSIJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21F2NO2/c1-3-17(8-9-19-4-2)10-13(18)14-11(15)6-5-7-12(14)16/h5-7,13,18H,3-4,8-10H2,1-2H3.
What are the key properties of 1-(2,6-difluorophenyl)-2-[2-ethoxyethyl(ethyl)amino]ethanol?
1-(2,6-difluorophenyl)-2-[2-ethoxyethyl(ethyl)amino]ethanol has a molecular weight of 273.32 g/mol, XLogP of 2.36, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,6-difluorophenyl)-2-[2-ethoxyethyl(ethyl)amino]ethanol is sourced from PubChem (CID 111108552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).