2-[2-[2-(4-fluorophenoxy)ethoxy]ethylamino]ethanol

C12H18FNO3 — CID 2280472

IUPAC2-[2-[2-(4-fluorophenoxy)ethoxy]ethylamino]ethanol
SMILESOCCNCCOCCOc1ccc(F)cc1
InChIInChI=1S/C12H18FNO3/c13-11-1-3-12(4-2-11)17-10-9-16-8-6-14-5-7-15/h1-4,14-15H,5-10H2
InChIKeyHSWIIEKJOSEFAL-UHFFFAOYSA-N
MW243.28 g/mol
LogP0.80
Rot. Bonds9

About 2-[2-[2-(4-fluorophenoxy)ethoxy]ethylamino]ethanol

2-[2-[2-(4-fluorophenoxy)ethoxy]ethylamino]ethanol (PubChem CID 2280472) has the molecular formula C12H18FNO3 and a molecular weight of 243.28 g/mol. Its IUPAC name is 2-[2-[2-(4-fluorophenoxy)ethoxy]ethylamino]ethanol.

Molecular Properties

Compound Name2-[2-[2-(4-fluorophenoxy)ethoxy]ethylamino]ethanol
PubChem CID2280472
Molecular FormulaC12H18FNO3
Molecular Weight243.28 g/mol
Exact Mass243.13
IUPAC Name2-[2-[2-(4-fluorophenoxy)ethoxy]ethylamino]ethanol
SMILESOCCNCCOCCOc1ccc(F)cc1
InChIInChI=1S/C12H18FNO3/c13-11-1-3-12(4-2-11)17-10-9-16-8-6-14-5-7-15/h1-4,14-15H,5-10H2
InChIKeyHSWIIEKJOSEFAL-UHFFFAOYSA-N
XLogP0.80
TPSA50.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.28
LogP ≤ 50.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[2-[2-(4-fluorophenoxy)ethoxy]ethyl]-2-methoxyethanamine;oxalic acid
CID 2869912
2-[2-[2-(4-bromophenoxy)ethoxy]ethylamino]ethanol;oxalic acid
CID 2869727
N-[2-[2-(4-fluorophenoxy)ethoxy]ethyl]-2-methylpropan-2-amine
CID 40539155
1-(4-fluorophenoxy)-3-[2-(2-hydroxyethoxy)ethylamino]propan-2-ol
CID 60632924
2-[2-[2-[2-[2-[4-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]phenoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol
CID 102253711
2-[2-(4-fluorophenoxy)ethoxy]ethanamine
CID 28749658
3-[4-(4-fluorophenyl)phenoxy]propan-1-ol
CID 54464679
N-ethyl-2-(4-fluorophenoxy)ethanamine;N-methylmethanamine
CID 22368875
N'-[2-[2-(4-methoxyphenoxy)ethoxy]ethyl]ethane-1,2-diamine
CID 2280947
N'-[2-[2-(4-iodophenoxy)ethoxy]ethyl]ethane-1,2-diamine
CID 2280836
N-[2-(4-fluorophenoxy)ethyl]-2-methylpropan-1-amine
CID 60685910
4-[2-(2-hydroxyethoxy)ethoxy]phenol;tungsten
CID 58924724

Frequently Asked Questions

What is the IUPAC name of 2-[2-[2-(4-fluorophenoxy)ethoxy]ethylamino]ethanol?
The IUPAC name of 2-[2-[2-(4-fluorophenoxy)ethoxy]ethylamino]ethanol (CID 2280472) is 2-[2-[2-(4-fluorophenoxy)ethoxy]ethylamino]ethanol.
What is the SMILES notation for 2-[2-[2-(4-fluorophenoxy)ethoxy]ethylamino]ethanol?
The canonical SMILES for 2-[2-[2-(4-fluorophenoxy)ethoxy]ethylamino]ethanol is OCCNCCOCCOc1ccc(F)cc1.
What is the InChIKey of 2-[2-[2-(4-fluorophenoxy)ethoxy]ethylamino]ethanol?
The InChIKey is HSWIIEKJOSEFAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18FNO3/c13-11-1-3-12(4-2-11)17-10-9-16-8-6-14-5-7-15/h1-4,14-15H,5-10H2.
What are the key properties of 2-[2-[2-(4-fluorophenoxy)ethoxy]ethylamino]ethanol?
2-[2-[2-(4-fluorophenoxy)ethoxy]ethylamino]ethanol has a molecular weight of 243.28 g/mol, XLogP of 0.80, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[2-(4-fluorophenoxy)ethoxy]ethylamino]ethanol is sourced from PubChem (CID 2280472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).