2-[2-(4-ethoxy-3-fluorophenyl)ethylamino]ethanol

C12H18FNO2 — CID 98014591

IUPAC2-[2-(4-ethoxy-3-fluorophenyl)ethylamino]ethanol
SMILESCCOc1ccc(CCNCCO)cc1F
InChIInChI=1S/C12H18FNO2/c1-2-16-12-4-3-10(9-11(12)13)5-6-14-7-8-15/h3-4,9,14-15H,2,5-8H2,1H3
InChIKeyLMGVHGTUAXCUJH-UHFFFAOYSA-N
MW227.28 g/mol
LogP1.35
Rot. Bonds7

About 2-[2-(4-ethoxy-3-fluorophenyl)ethylamino]ethanol

2-[2-(4-ethoxy-3-fluorophenyl)ethylamino]ethanol (PubChem CID 98014591) has the molecular formula C12H18FNO2 and a molecular weight of 227.28 g/mol. Its IUPAC name is 2-[2-(4-ethoxy-3-fluorophenyl)ethylamino]ethanol.

Molecular Properties

Compound Name2-[2-(4-ethoxy-3-fluorophenyl)ethylamino]ethanol
PubChem CID98014591
Molecular FormulaC12H18FNO2
Molecular Weight227.28 g/mol
Exact Mass227.13
IUPAC Name2-[2-(4-ethoxy-3-fluorophenyl)ethylamino]ethanol
SMILESCCOc1ccc(CCNCCO)cc1F
InChIInChI=1S/C12H18FNO2/c1-2-16-12-4-3-10(9-11(12)13)5-6-14-7-8-15/h3-4,9,14-15H,2,5-8H2,1H3
InChIKeyLMGVHGTUAXCUJH-UHFFFAOYSA-N
XLogP1.35
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.28
LogP ≤ 51.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(2-chloroethyl)-2-(4-ethoxy-3-fluorophenyl)ethanamine
CID 115215056
2-[2-(3-fluoro-4-methoxyphenyl)ethylamino]ethanol
CID 94681852
2-(4-ethoxy-3-fluorophenyl)-N-(hydrazinylmethyl)ethanamine
CID 115261118
N'-[2-(4-ethoxy-3-fluorophenyl)ethyl]-2,2-dimethylpropane-1,3-diamine
CID 115200177
3-[2-(3,4-diethoxyphenyl)ethylamino]propan-1-ol
CID 82097746
N-[2-(4-ethoxy-3-fluorophenyl)ethyl]-4-hydroxybutanamide
CID 115163095
2-[2-(4-ethoxy-3-fluorophenyl)ethylamino]-3-methylbutan-1-ol
CID 115137706
3-[2-(4-ethoxy-3-fluorophenyl)ethylamino]-2,2-dimethylpropanenitrile
CID 115234230
N-[2-(4-ethoxy-3-fluorophenyl)ethyl]-2-sulfanylacetamide
CID 115167384
N-[[1-(aminomethyl)cyclopropyl]methyl]-2-(4-ethoxy-3-fluorophenyl)ethanamine
CID 115244309
2-[3-(3-amino-4-ethoxyphenyl)propylamino]ethanol
CID 82153190
4-amino-N-[2-(4-ethoxy-3-fluorophenyl)ethyl]butanamide
CID 115155420

Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-ethoxy-3-fluorophenyl)ethylamino]ethanol?
The IUPAC name of 2-[2-(4-ethoxy-3-fluorophenyl)ethylamino]ethanol (CID 98014591) is 2-[2-(4-ethoxy-3-fluorophenyl)ethylamino]ethanol.
What is the SMILES notation for 2-[2-(4-ethoxy-3-fluorophenyl)ethylamino]ethanol?
The canonical SMILES for 2-[2-(4-ethoxy-3-fluorophenyl)ethylamino]ethanol is CCOc1ccc(CCNCCO)cc1F.
What is the InChIKey of 2-[2-(4-ethoxy-3-fluorophenyl)ethylamino]ethanol?
The InChIKey is LMGVHGTUAXCUJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18FNO2/c1-2-16-12-4-3-10(9-11(12)13)5-6-14-7-8-15/h3-4,9,14-15H,2,5-8H2,1H3.
What are the key properties of 2-[2-(4-ethoxy-3-fluorophenyl)ethylamino]ethanol?
2-[2-(4-ethoxy-3-fluorophenyl)ethylamino]ethanol has a molecular weight of 227.28 g/mol, XLogP of 1.35, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-ethoxy-3-fluorophenyl)ethylamino]ethanol is sourced from PubChem (CID 98014591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).