2-[2-(3-fluorophenoxy)ethyl-(2-phenylethyl)amino]ethanol

C18H22FNO2 — CID 86942952

IUPAC2-[2-(3-fluorophenoxy)ethyl-(2-phenylethyl)amino]ethanol
SMILESOCCN(CCOc1cccc(F)c1)CCc1ccccc1
InChIInChI=1S/C18H22FNO2/c19-17-7-4-8-18(15-17)22-14-12-20(11-13-21)10-9-16-5-2-1-3-6-16/h1-8,15,21H,9-14H2
InChIKeyFTUDQUKKBQCLML-UHFFFAOYSA-N
MW303.38 g/mol
LogP2.74
Rot. Bonds9

About 2-[2-(3-fluorophenoxy)ethyl-(2-phenylethyl)amino]ethanol

2-[2-(3-fluorophenoxy)ethyl-(2-phenylethyl)amino]ethanol (PubChem CID 86942952) has the molecular formula C18H22FNO2 and a molecular weight of 303.38 g/mol. Its IUPAC name is 2-[2-(3-fluorophenoxy)ethyl-(2-phenylethyl)amino]ethanol.

Molecular Properties

Compound Name2-[2-(3-fluorophenoxy)ethyl-(2-phenylethyl)amino]ethanol
PubChem CID86942952
Molecular FormulaC18H22FNO2
Molecular Weight303.38 g/mol
Exact Mass303.16
IUPAC Name2-[2-(3-fluorophenoxy)ethyl-(2-phenylethyl)amino]ethanol
SMILESOCCN(CCOc1cccc(F)c1)CCc1ccccc1
InChIInChI=1S/C18H22FNO2/c19-17-7-4-8-18(15-17)22-14-12-20(11-13-21)10-9-16-5-2-1-3-6-16/h1-8,15,21H,9-14H2
InChIKeyFTUDQUKKBQCLML-UHFFFAOYSA-N
XLogP2.74
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.38
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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4-[3-(3-fluorophenoxy)propyl]aniline
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2-[2-(3-chlorophenoxy)ethyl-(2,2,2-trifluoroethyl)amino]ethanol
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2-[(3-phenylmethoxyphenyl)methyl-[[6-(5-phenylpentoxy)naphthalen-2-yl]methyl]amino]ethanol
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3-[2-[bis[2-(3-carboxyphenoxy)ethyl]amino]ethoxy]benzoic acid
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N-[2-(3-fluorophenoxy)ethyl]-N-methylfuran-2-carboxamide
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(1R)-3-(3-fluorophenoxy)-1-phenylpropan-1-ol
CID 112742208

Frequently Asked Questions

What is the IUPAC name of 2-[2-(3-fluorophenoxy)ethyl-(2-phenylethyl)amino]ethanol?
The IUPAC name of 2-[2-(3-fluorophenoxy)ethyl-(2-phenylethyl)amino]ethanol (CID 86942952) is 2-[2-(3-fluorophenoxy)ethyl-(2-phenylethyl)amino]ethanol.
What is the SMILES notation for 2-[2-(3-fluorophenoxy)ethyl-(2-phenylethyl)amino]ethanol?
The canonical SMILES for 2-[2-(3-fluorophenoxy)ethyl-(2-phenylethyl)amino]ethanol is OCCN(CCOc1cccc(F)c1)CCc1ccccc1.
What is the InChIKey of 2-[2-(3-fluorophenoxy)ethyl-(2-phenylethyl)amino]ethanol?
The InChIKey is FTUDQUKKBQCLML-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22FNO2/c19-17-7-4-8-18(15-17)22-14-12-20(11-13-21)10-9-16-5-2-1-3-6-16/h1-8,15,21H,9-14H2.
What are the key properties of 2-[2-(3-fluorophenoxy)ethyl-(2-phenylethyl)amino]ethanol?
2-[2-(3-fluorophenoxy)ethyl-(2-phenylethyl)amino]ethanol has a molecular weight of 303.38 g/mol, XLogP of 2.74, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(3-fluorophenoxy)ethyl-(2-phenylethyl)amino]ethanol is sourced from PubChem (CID 86942952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).