[2-[2-(2,4-difluorophenoxy)ethyl]-1-(ethylamino)cyclopentyl]methanol

C16H23F2NO2 — CID 79586778

IUPAC[2-[2-(2,4-difluorophenoxy)ethyl]-1-(ethylamino)cyclopentyl]methanol
SMILESCCNC1(CO)CCCC1CCOc1ccc(F)cc1F
InChIInChI=1S/C16H23F2NO2/c1-2-19-16(11-20)8-3-4-12(16)7-9-21-15-6-5-13(17)10-14(15)18/h5-6,10,12,19-20H,2-4,7-9,11H2,1H3
InChIKeyAFPSFWGYAAXCST-UHFFFAOYSA-N
MW299.36 g/mol
LogP2.87
Rot. Bonds7

About [2-[2-(2,4-difluorophenoxy)ethyl]-1-(ethylamino)cyclopentyl]methanol

[2-[2-(2,4-difluorophenoxy)ethyl]-1-(ethylamino)cyclopentyl]methanol (PubChem CID 79586778) has the molecular formula C16H23F2NO2 and a molecular weight of 299.36 g/mol. Its IUPAC name is [2-[2-(2,4-difluorophenoxy)ethyl]-1-(ethylamino)cyclopentyl]methanol.

Molecular Properties

Compound Name[2-[2-(2,4-difluorophenoxy)ethyl]-1-(ethylamino)cyclopentyl]methanol
PubChem CID79586778
Molecular FormulaC16H23F2NO2
Molecular Weight299.36 g/mol
Exact Mass299.17
IUPAC Name[2-[2-(2,4-difluorophenoxy)ethyl]-1-(ethylamino)cyclopentyl]methanol
SMILESCCNC1(CO)CCCC1CCOc1ccc(F)cc1F
InChIInChI=1S/C16H23F2NO2/c1-2-19-16(11-20)8-3-4-12(16)7-9-21-15-6-5-13(17)10-14(15)18/h5-6,10,12,19-20H,2-4,7-9,11H2,1H3
InChIKeyAFPSFWGYAAXCST-UHFFFAOYSA-N
XLogP2.87
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.36
LogP ≤ 52.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

[1-(ethylamino)-2-[2-(3-methoxyphenoxy)ethyl]cyclopentyl]methanol
CID 79586887
1-(aminomethyl)-2-[2-(2,4-difluorophenoxy)ethyl]cyclopentan-1-ol
CID 79587266
[2-[2-(2,3-difluorophenoxy)ethyl]-1-(methylamino)cyclopentyl]methanol
CID 79581372
[1-(ethylamino)-2-[2-(2-methylcyclohexyl)oxyethyl]cyclopentyl]methanol
CID 79581305
4-(2,4-difluorophenoxy)-2-(ethylamino)butan-1-ol
CID 64804927
1-[2-(2,4-difluorophenoxy)ethyl]-3-[2-(hydroxymethyl)-2-methylcyclopentyl]urea
CID 111506035
2-(cyclopropylamino)-4-(2,4-difluorophenoxy)-2-methylbutan-1-ol
CID 64803671
[2-(2-propoxyethyl)-1-(propylamino)cyclopentyl]methanol
CID 79581095
[3-(2,4-difluorophenoxy)-1-(propylamino)cyclohexyl]methanol
CID 79638624
[4-[2-[2-(hydroxymethyl)-2-(methylamino)cyclopentyl]ethoxy]phenyl]methanol
CID 79581217
N-[2-(2,4-difluorophenoxy)ethyl]cyclopentanamine
CID 62570847
2-(2,4-difluorophenoxy)-N-[1-(hydroxymethyl)cyclopentyl]acetamide
CID 62519487

Frequently Asked Questions

What is the IUPAC name of [2-[2-(2,4-difluorophenoxy)ethyl]-1-(ethylamino)cyclopentyl]methanol?
The IUPAC name of [2-[2-(2,4-difluorophenoxy)ethyl]-1-(ethylamino)cyclopentyl]methanol (CID 79586778) is [2-[2-(2,4-difluorophenoxy)ethyl]-1-(ethylamino)cyclopentyl]methanol.
What is the SMILES notation for [2-[2-(2,4-difluorophenoxy)ethyl]-1-(ethylamino)cyclopentyl]methanol?
The canonical SMILES for [2-[2-(2,4-difluorophenoxy)ethyl]-1-(ethylamino)cyclopentyl]methanol is CCNC1(CO)CCCC1CCOc1ccc(F)cc1F.
What is the InChIKey of [2-[2-(2,4-difluorophenoxy)ethyl]-1-(ethylamino)cyclopentyl]methanol?
The InChIKey is AFPSFWGYAAXCST-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23F2NO2/c1-2-19-16(11-20)8-3-4-12(16)7-9-21-15-6-5-13(17)10-14(15)18/h5-6,10,12,19-20H,2-4,7-9,11H2,1H3.
What are the key properties of [2-[2-(2,4-difluorophenoxy)ethyl]-1-(ethylamino)cyclopentyl]methanol?
[2-[2-(2,4-difluorophenoxy)ethyl]-1-(ethylamino)cyclopentyl]methanol has a molecular weight of 299.36 g/mol, XLogP of 2.87, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[2-(2,4-difluorophenoxy)ethyl]-1-(ethylamino)cyclopentyl]methanol is sourced from PubChem (CID 79586778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).