1-(2-fluorophenyl)-2-[2-hydroxyethyl(2-methoxyethyl)amino]ethanol

C13H20FNO3 — CID 111103240

IUPAC1-(2-fluorophenyl)-2-[2-hydroxyethyl(2-methoxyethyl)amino]ethanol
SMILESCOCCN(CCO)CC(O)c1ccccc1F
InChIInChI=1S/C13H20FNO3/c1-18-9-7-15(6-8-16)10-13(17)11-4-2-3-5-12(11)14/h2-5,13,16-17H,6-10H2,1H3
InChIKeyGQGLJJFVSBQUAA-UHFFFAOYSA-N
MW257.30 g/mol
LogP0.80
Rot. Bonds8

About 1-(2-fluorophenyl)-2-[2-hydroxyethyl(2-methoxyethyl)amino]ethanol

1-(2-fluorophenyl)-2-[2-hydroxyethyl(2-methoxyethyl)amino]ethanol (PubChem CID 111103240) has the molecular formula C13H20FNO3 and a molecular weight of 257.30 g/mol. Its IUPAC name is 1-(2-fluorophenyl)-2-[2-hydroxyethyl(2-methoxyethyl)amino]ethanol.

Molecular Properties

Compound Name1-(2-fluorophenyl)-2-[2-hydroxyethyl(2-methoxyethyl)amino]ethanol
PubChem CID111103240
Molecular FormulaC13H20FNO3
Molecular Weight257.30 g/mol
Exact Mass257.14
IUPAC Name1-(2-fluorophenyl)-2-[2-hydroxyethyl(2-methoxyethyl)amino]ethanol
SMILESCOCCN(CCO)CC(O)c1ccccc1F
InChIInChI=1S/C13H20FNO3/c1-18-9-7-15(6-8-16)10-13(17)11-4-2-3-5-12(11)14/h2-5,13,16-17H,6-10H2,1H3
InChIKeyGQGLJJFVSBQUAA-UHFFFAOYSA-N
XLogP0.80
TPSA52.93 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.30
LogP ≤ 50.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2,6-difluorophenyl)-2-[2-hydroxyethyl(2-methoxyethyl)amino]ethanol
CID 111103219
1-(2-fluorophenyl)-2-[2-hydroxyethyl(propyl)amino]ethanol
CID 56811844
1-(2-aminophenyl)-2-[bis(2-methoxyethyl)amino]ethanol
CID 62264582
1-(4-bromophenyl)-2-[2-hydroxyethyl(2-methoxyethyl)amino]ethanol
CID 111103190
1-(2-aminophenyl)-2-[2-methoxyethyl(2-methylpropyl)amino]ethanol
CID 62265978
2-[2-hydroxyethyl(2-methoxyethyl)amino]-1-(3-methoxyphenyl)ethanol
CID 115629672
1-(2-fluorophenyl)-3-[2-methoxyethyl(propan-2-yl)amino]-2-methylpropan-1-ol
CID 115997200
1-(2-fluorophenyl)-3-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]propan-1-ol
CID 107487213
1-(2-bromophenyl)-3-[2-methoxyethyl(2-methylpropyl)amino]propan-1-ol
CID 62625619
1-(2-fluorophenyl)-N-(2-methoxyethyl)-N-(2-methylpropyl)ethane-1,2-diamine
CID 54986740
2-[bis(cyclopropylmethyl)amino]-1-(2-fluorophenyl)ethanol
CID 103670661
2-[ethyl(2-methylprop-2-enyl)amino]-1-(2-fluorophenyl)ethanol
CID 110887728

Frequently Asked Questions

What is the IUPAC name of 1-(2-fluorophenyl)-2-[2-hydroxyethyl(2-methoxyethyl)amino]ethanol?
The IUPAC name of 1-(2-fluorophenyl)-2-[2-hydroxyethyl(2-methoxyethyl)amino]ethanol (CID 111103240) is 1-(2-fluorophenyl)-2-[2-hydroxyethyl(2-methoxyethyl)amino]ethanol.
What is the SMILES notation for 1-(2-fluorophenyl)-2-[2-hydroxyethyl(2-methoxyethyl)amino]ethanol?
The canonical SMILES for 1-(2-fluorophenyl)-2-[2-hydroxyethyl(2-methoxyethyl)amino]ethanol is COCCN(CCO)CC(O)c1ccccc1F.
What is the InChIKey of 1-(2-fluorophenyl)-2-[2-hydroxyethyl(2-methoxyethyl)amino]ethanol?
The InChIKey is GQGLJJFVSBQUAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20FNO3/c1-18-9-7-15(6-8-16)10-13(17)11-4-2-3-5-12(11)14/h2-5,13,16-17H,6-10H2,1H3.
What are the key properties of 1-(2-fluorophenyl)-2-[2-hydroxyethyl(2-methoxyethyl)amino]ethanol?
1-(2-fluorophenyl)-2-[2-hydroxyethyl(2-methoxyethyl)amino]ethanol has a molecular weight of 257.30 g/mol, XLogP of 0.80, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluorophenyl)-2-[2-hydroxyethyl(2-methoxyethyl)amino]ethanol is sourced from PubChem (CID 111103240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).