1-(2,6-difluorophenyl)-2-[2-(3-fluorophenoxy)ethyl-methylamino]ethanol

C17H18F3NO2 — CID 53350267

IUPAC1-(2,6-difluorophenyl)-2-[2-(3-fluorophenoxy)ethyl-methylamino]ethanol
SMILESCN(CCOc1cccc(F)c1)CC(O)c1c(F)cccc1F
InChIInChI=1S/C17H18F3NO2/c1-21(8-9-23-13-5-2-4-12(18)10-13)11-16(22)17-14(19)6-3-7-15(17)20/h2-7,10,16,22H,8-9,11H2,1H3
InChIKeySCVQEUVPRYZXHG-UHFFFAOYSA-N
MW325.33 g/mol
LogP3.15
Rot. Bonds7

About 1-(2,6-difluorophenyl)-2-[2-(3-fluorophenoxy)ethyl-methylamino]ethanol

1-(2,6-difluorophenyl)-2-[2-(3-fluorophenoxy)ethyl-methylamino]ethanol (PubChem CID 53350267) has the molecular formula C17H18F3NO2 and a molecular weight of 325.33 g/mol. Its IUPAC name is 1-(2,6-difluorophenyl)-2-[2-(3-fluorophenoxy)ethyl-methylamino]ethanol.

Molecular Properties

Compound Name1-(2,6-difluorophenyl)-2-[2-(3-fluorophenoxy)ethyl-methylamino]ethanol
PubChem CID53350267
Molecular FormulaC17H18F3NO2
Molecular Weight325.33 g/mol
Exact Mass325.13
IUPAC Name1-(2,6-difluorophenyl)-2-[2-(3-fluorophenoxy)ethyl-methylamino]ethanol
SMILESCN(CCOc1cccc(F)c1)CC(O)c1c(F)cccc1F
InChIInChI=1S/C17H18F3NO2/c1-21(8-9-23-13-5-2-4-12(18)10-13)11-16(22)17-14(19)6-3-7-15(17)20/h2-7,10,16,22H,8-9,11H2,1H3
InChIKeySCVQEUVPRYZXHG-UHFFFAOYSA-N
XLogP3.15
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.33
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-(3-bromophenoxy)ethyl-methylamino]propan-2-ol
CID 55061080
2-[2-(3-fluorophenoxy)ethyl-methylamino]propanamide
CID 47286834
1-(2,6-difluorophenyl)-2-[methyl(2-methylbutyl)amino]ethanol
CID 111113593
6-(3-fluorophenoxy)hexan-3-ol
CID 106802653
1-fluoro-3-[2-[methyl(sulfamoyl)amino]ethoxy]benzene
CID 112686090
(1R)-3-(3-fluorophenoxy)-1-phenylpropan-1-ol
CID 112742208
2-(3-fluorophenoxy)-1-(2-fluorophenyl)ethanol
CID 110885745
1-[2-(dimethylamino)ethyl]-3-[2-(3-fluorophenoxy)ethyl]urea
CID 112970330
2-amino-N-[2-(3-fluorophenoxy)ethyl]-N-methylbutanediamide
CID 60946637
4-chloro-N-[2-(3-fluorophenoxy)ethyl]-N-methylbutanamide
CID 63307611
(1S)-2-[2-(4-chlorophenoxy)ethyl-methylamino]-1-phenylethanol
CID 2106515
methyl 3-(3-fluorophenoxy)propanoate
CID 28889468

Frequently Asked Questions

What is the IUPAC name of 1-(2,6-difluorophenyl)-2-[2-(3-fluorophenoxy)ethyl-methylamino]ethanol?
The IUPAC name of 1-(2,6-difluorophenyl)-2-[2-(3-fluorophenoxy)ethyl-methylamino]ethanol (CID 53350267) is 1-(2,6-difluorophenyl)-2-[2-(3-fluorophenoxy)ethyl-methylamino]ethanol.
What is the SMILES notation for 1-(2,6-difluorophenyl)-2-[2-(3-fluorophenoxy)ethyl-methylamino]ethanol?
The canonical SMILES for 1-(2,6-difluorophenyl)-2-[2-(3-fluorophenoxy)ethyl-methylamino]ethanol is CN(CCOc1cccc(F)c1)CC(O)c1c(F)cccc1F.
What is the InChIKey of 1-(2,6-difluorophenyl)-2-[2-(3-fluorophenoxy)ethyl-methylamino]ethanol?
The InChIKey is SCVQEUVPRYZXHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18F3NO2/c1-21(8-9-23-13-5-2-4-12(18)10-13)11-16(22)17-14(19)6-3-7-15(17)20/h2-7,10,16,22H,8-9,11H2,1H3.
What are the key properties of 1-(2,6-difluorophenyl)-2-[2-(3-fluorophenoxy)ethyl-methylamino]ethanol?
1-(2,6-difluorophenyl)-2-[2-(3-fluorophenoxy)ethyl-methylamino]ethanol has a molecular weight of 325.33 g/mol, XLogP of 3.15, 7 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-(3-fluorophenoxy)ethyl-methylamino]ethanol is sourced from PubChem (CID 53350267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).