2-(diethylamino)-1-(3-fluoro-4-methoxyphenyl)ethanol

C13H20FNO2 — CID 112510192

IUPAC2-(diethylamino)-1-(3-fluoro-4-methoxyphenyl)ethanol
SMILESCCN(CC)CC(O)c1ccc(OC)c(F)c1
InChIInChI=1S/C13H20FNO2/c1-4-15(5-2)9-12(16)10-6-7-13(17-3)11(14)8-10/h6-8,12,16H,4-5,9H2,1-3H3
InChIKeyKJQBYTAGKYZXDJ-UHFFFAOYSA-N
MW241.31 g/mol
LogP2.21
Rot. Bonds6

About 2-(diethylamino)-1-(3-fluoro-4-methoxyphenyl)ethanol

2-(diethylamino)-1-(3-fluoro-4-methoxyphenyl)ethanol (PubChem CID 112510192) has the molecular formula C13H20FNO2 and a molecular weight of 241.31 g/mol. Its IUPAC name is 2-(diethylamino)-1-(3-fluoro-4-methoxyphenyl)ethanol.

Molecular Properties

Compound Name2-(diethylamino)-1-(3-fluoro-4-methoxyphenyl)ethanol
PubChem CID112510192
Molecular FormulaC13H20FNO2
Molecular Weight241.31 g/mol
Exact Mass241.15
IUPAC Name2-(diethylamino)-1-(3-fluoro-4-methoxyphenyl)ethanol
SMILESCCN(CC)CC(O)c1ccc(OC)c(F)c1
InChIInChI=1S/C13H20FNO2/c1-4-15(5-2)9-12(16)10-6-7-13(17-3)11(14)8-10/h6-8,12,16H,4-5,9H2,1-3H3
InChIKeyKJQBYTAGKYZXDJ-UHFFFAOYSA-N
XLogP2.21
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.31
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(1R)-2-bromo-1-(3-fluoro-4-methoxyphenyl)ethanol
CID 83000611
2-amino-1-(3-fluoro-4-methoxyphenyl)ethanol
CID 13079645
1-(3-fluoro-4-methoxyphenyl)-2-propan-2-ylsulfanylethanol
CID 65134806
2-ethylsulfanyl-1-(3-fluoro-4-methoxyphenyl)ethanol
CID 65130437
1-(3-fluoro-4-methoxyphenyl)-2-propoxyethanol
CID 62797147
1-(3-fluoro-4-methoxyphenyl)undecan-1-ol
CID 65151223
1-(3-fluoro-4-methoxyphenyl)-3-methylidenepentan-1-ol
CID 115817551
1-(3-fluoro-4-methoxyphenyl)pentane-1,5-diol
CID 112509946
2-ethyl-1-(3-fluoro-4-methoxyphenyl)butane-1,2-diol
CID 103449386
2-ethyl-1-(3-fluoro-4-methoxyphenyl)-2-methoxybutan-1-ol
CID 116752804
(1R,3R)-3-amino-4,4,4-trifluoro-1-(3-fluoro-4-methoxyphenyl)butan-1-ol
CID 171237844
(1R)-2-azido-1-(3-fluoro-4-methoxyphenyl)ethanol
CID 83093152

Frequently Asked Questions

What is the IUPAC name of 2-(diethylamino)-1-(3-fluoro-4-methoxyphenyl)ethanol?
The IUPAC name of 2-(diethylamino)-1-(3-fluoro-4-methoxyphenyl)ethanol (CID 112510192) is 2-(diethylamino)-1-(3-fluoro-4-methoxyphenyl)ethanol.
What is the SMILES notation for 2-(diethylamino)-1-(3-fluoro-4-methoxyphenyl)ethanol?
The canonical SMILES for 2-(diethylamino)-1-(3-fluoro-4-methoxyphenyl)ethanol is CCN(CC)CC(O)c1ccc(OC)c(F)c1.
What is the InChIKey of 2-(diethylamino)-1-(3-fluoro-4-methoxyphenyl)ethanol?
The InChIKey is KJQBYTAGKYZXDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20FNO2/c1-4-15(5-2)9-12(16)10-6-7-13(17-3)11(14)8-10/h6-8,12,16H,4-5,9H2,1-3H3.
What are the key properties of 2-(diethylamino)-1-(3-fluoro-4-methoxyphenyl)ethanol?
2-(diethylamino)-1-(3-fluoro-4-methoxyphenyl)ethanol has a molecular weight of 241.31 g/mol, XLogP of 2.21, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(diethylamino)-1-(3-fluoro-4-methoxyphenyl)ethanol is sourced from PubChem (CID 112510192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).