2-[2,2-difluoroethyl-[2-(2-ethoxyphenoxy)ethyl]amino]ethanol

C14H21F2NO3 — CID 107485528

IUPAC2-[2,2-difluoroethyl-[2-(2-ethoxyphenoxy)ethyl]amino]ethanol
SMILESCCOc1ccccc1OCCN(CCO)CC(F)F
InChIInChI=1S/C14H21F2NO3/c1-2-19-12-5-3-4-6-13(12)20-10-8-17(7-9-18)11-14(15)16/h3-6,14,18H,2,7-11H2,1H3
InChIKeyLGLIXVPXIKGFDV-UHFFFAOYSA-N
MW289.32 g/mol
LogP2.02
Rot. Bonds10

About 2-[2,2-difluoroethyl-[2-(2-ethoxyphenoxy)ethyl]amino]ethanol

2-[2,2-difluoroethyl-[2-(2-ethoxyphenoxy)ethyl]amino]ethanol (PubChem CID 107485528) has the molecular formula C14H21F2NO3 and a molecular weight of 289.32 g/mol. Its IUPAC name is 2-[2,2-difluoroethyl-[2-(2-ethoxyphenoxy)ethyl]amino]ethanol.

Molecular Properties

Compound Name2-[2,2-difluoroethyl-[2-(2-ethoxyphenoxy)ethyl]amino]ethanol
PubChem CID107485528
Molecular FormulaC14H21F2NO3
Molecular Weight289.32 g/mol
Exact Mass289.15
IUPAC Name2-[2,2-difluoroethyl-[2-(2-ethoxyphenoxy)ethyl]amino]ethanol
SMILESCCOc1ccccc1OCCN(CCO)CC(F)F
InChIInChI=1S/C14H21F2NO3/c1-2-19-12-5-3-4-6-13(12)20-10-8-17(7-9-18)11-14(15)16/h3-6,14,18H,2,7-11H2,1H3
InChIKeyLGLIXVPXIKGFDV-UHFFFAOYSA-N
XLogP2.02
TPSA41.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.32
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 4631
(+-)-Moprolol
CID 71213
(-)-Moprolol
CID 3034006
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Guaiapate
CID 70066
Pyrrolidine, 1-(2-(2-(o-methoxyphenoxy)ethoxy)ethyl)-
CID 120394
(+)-Oxprenolol
CID 94423
1-(2-Methoxyphenoxy)-3-morpholin-4-ylpropan-2-ol
CID 3151249
Diethyl(2-phenoxyethyl)amine
CID 66150
2-((2-Ethoxyphenoxy)methyl)-4-isopropylmorpholine
CID 12226576
1-[Methyl(2-phenoxyethyl)amino]-3-phenoxypropan-2-ol
CID 4309964
1-[Methyl(propan-2-yl)amino]-3-phenoxypropan-2-ol
CID 44307782

Frequently Asked Questions

What is the IUPAC name of 2-[2,2-difluoroethyl-[2-(2-ethoxyphenoxy)ethyl]amino]ethanol?
The IUPAC name of 2-[2,2-difluoroethyl-[2-(2-ethoxyphenoxy)ethyl]amino]ethanol (CID 107485528) is 2-[2,2-difluoroethyl-[2-(2-ethoxyphenoxy)ethyl]amino]ethanol.
What is the SMILES notation for 2-[2,2-difluoroethyl-[2-(2-ethoxyphenoxy)ethyl]amino]ethanol?
The canonical SMILES for 2-[2,2-difluoroethyl-[2-(2-ethoxyphenoxy)ethyl]amino]ethanol is CCOc1ccccc1OCCN(CCO)CC(F)F.
What is the InChIKey of 2-[2,2-difluoroethyl-[2-(2-ethoxyphenoxy)ethyl]amino]ethanol?
The InChIKey is LGLIXVPXIKGFDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21F2NO3/c1-2-19-12-5-3-4-6-13(12)20-10-8-17(7-9-18)11-14(15)16/h3-6,14,18H,2,7-11H2,1H3.
What are the key properties of 2-[2,2-difluoroethyl-[2-(2-ethoxyphenoxy)ethyl]amino]ethanol?
2-[2,2-difluoroethyl-[2-(2-ethoxyphenoxy)ethyl]amino]ethanol has a molecular weight of 289.32 g/mol, XLogP of 2.02, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2,2-difluoroethyl-[2-(2-ethoxyphenoxy)ethyl]amino]ethanol is sourced from PubChem (CID 107485528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).