2-amino-2-(2-ethoxy-3,5-difluorophenyl)ethanol

C10H13F2NO2 — CID 83887419

IUPAC2-amino-2-(2-ethoxy-3,5-difluorophenyl)ethanol
SMILESCCOc1c(F)cc(F)cc1C(N)CO
InChIInChI=1S/C10H13F2NO2/c1-2-15-10-7(9(13)5-14)3-6(11)4-8(10)12/h3-4,9,14H,2,5,13H2,1H3
InChIKeyKEFVGALOXHNEOW-UHFFFAOYSA-N
MW217.21 g/mol
LogP1.36
Rot. Bonds4

About 2-amino-2-(2-ethoxy-3,5-difluorophenyl)ethanol

2-amino-2-(2-ethoxy-3,5-difluorophenyl)ethanol (PubChem CID 83887419) has the molecular formula C10H13F2NO2 and a molecular weight of 217.21 g/mol. Its IUPAC name is 2-amino-2-(2-ethoxy-3,5-difluorophenyl)ethanol.

Molecular Properties

Compound Name2-amino-2-(2-ethoxy-3,5-difluorophenyl)ethanol
PubChem CID83887419
Molecular FormulaC10H13F2NO2
Molecular Weight217.21 g/mol
Exact Mass217.09
IUPAC Name2-amino-2-(2-ethoxy-3,5-difluorophenyl)ethanol
SMILESCCOc1c(F)cc(F)cc1C(N)CO
InChIInChI=1S/C10H13F2NO2/c1-2-15-10-7(9(13)5-14)3-6(11)4-8(10)12/h3-4,9,14H,2,5,13H2,1H3
InChIKeyKEFVGALOXHNEOW-UHFFFAOYSA-N
XLogP1.36
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.21
LogP ≤ 51.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-amino-2-(3,5-difluoro-2-methoxyphenyl)ethanol
CID 66514208
1-(2-butoxy-3,5-difluorophenyl)ethanol
CID 91656918
2-amino-2-(4-chloro-2-ethoxy-5-fluorophenyl)ethanol
CID 83895823
(2R)-2-amino-2-(2,4-difluorophenyl)ethanol;hydrochloride
CID 67034313
2-[(1R)-1-amino-2-hydroxyethyl]-4-fluoro-6-methoxyphenol
CID 66514040
(2S)-2-amino-2-(2,4,6-trifluorophenyl)ethanol;hydrochloride
CID 171204906
(2S)-2-amino-2-(2,3-diethoxyphenyl)ethanol
CID 66515135
1-(2-ethoxy-3,5-difluorophenyl)ethanone
CID 83880634
2-[(1S)-1-amino-2-hydroxyethyl]-4-fluoro-6-methylphenol;hydrochloride
CID 171205435
2-amino-2-(4-ethoxy-3-fluorophenyl)ethanol
CID 82282191
ethyl 2-(2-ethoxy-3,5-difluorophenyl)-2-oxoacetate
CID 91656339
2-amino-2-(2-fluoro-4,5-dimethylphenyl)ethanol
CID 84769051

Frequently Asked Questions

What is the IUPAC name of 2-amino-2-(2-ethoxy-3,5-difluorophenyl)ethanol?
The IUPAC name of 2-amino-2-(2-ethoxy-3,5-difluorophenyl)ethanol (CID 83887419) is 2-amino-2-(2-ethoxy-3,5-difluorophenyl)ethanol.
What is the SMILES notation for 2-amino-2-(2-ethoxy-3,5-difluorophenyl)ethanol?
The canonical SMILES for 2-amino-2-(2-ethoxy-3,5-difluorophenyl)ethanol is CCOc1c(F)cc(F)cc1C(N)CO.
What is the InChIKey of 2-amino-2-(2-ethoxy-3,5-difluorophenyl)ethanol?
The InChIKey is KEFVGALOXHNEOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13F2NO2/c1-2-15-10-7(9(13)5-14)3-6(11)4-8(10)12/h3-4,9,14H,2,5,13H2,1H3.
What are the key properties of 2-amino-2-(2-ethoxy-3,5-difluorophenyl)ethanol?
2-amino-2-(2-ethoxy-3,5-difluorophenyl)ethanol has a molecular weight of 217.21 g/mol, XLogP of 1.36, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-(2-ethoxy-3,5-difluorophenyl)ethanol is sourced from PubChem (CID 83887419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).