2-[2-[[(1R)-1-(3-fluorophenyl)ethyl]amino]ethoxy]ethanol

C12H18FNO2 — CID 28727780

IUPAC2-[2-[[(1R)-1-(3-fluorophenyl)ethyl]amino]ethoxy]ethanol
SMILESC[C@@H](NCCOCCO)c1cccc(F)c1
InChIInChI=1S/C12H18FNO2/c1-10(14-5-7-16-8-6-15)11-3-2-4-12(13)9-11/h2-4,9-10,14-15H,5-8H2,1H3/t10-/m1/s1
InChIKeyWDJIQMLOSSPDJD-SNVBAGLBSA-N
MW227.28 g/mol
LogP1.49
Rot. Bonds7

About 2-[2-[[(1R)-1-(3-fluorophenyl)ethyl]amino]ethoxy]ethanol

2-[2-[[(1R)-1-(3-fluorophenyl)ethyl]amino]ethoxy]ethanol (PubChem CID 28727780) has the molecular formula C12H18FNO2 and a molecular weight of 227.28 g/mol. Its IUPAC name is 2-[2-[[(1R)-1-(3-fluorophenyl)ethyl]amino]ethoxy]ethanol.

Molecular Properties

Compound Name2-[2-[[(1R)-1-(3-fluorophenyl)ethyl]amino]ethoxy]ethanol
PubChem CID28727780
Molecular FormulaC12H18FNO2
Molecular Weight227.28 g/mol
Exact Mass227.13
IUPAC Name2-[2-[[(1R)-1-(3-fluorophenyl)ethyl]amino]ethoxy]ethanol
SMILESC[C@@H](NCCOCCO)c1cccc(F)c1
InChIInChI=1S/C12H18FNO2/c1-10(14-5-7-16-8-6-15)11-3-2-4-12(13)9-11/h2-4,9-10,14-15H,5-8H2,1H3/t10-/m1/s1
InChIKeyWDJIQMLOSSPDJD-SNVBAGLBSA-N
XLogP1.49
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 ≤ 51.49
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

2-[2-[[(1R)-1-(4-fluorophenyl)ethyl]amino]ethoxy]ethanol
CID 28727479
(2S)-4-[[(1R)-1-(3-fluorophenyl)ethyl]amino]butan-2-ol
CID 96787699
2-[2-[1-(4-phenylphenyl)ethylamino]ethoxy]ethanol
CID 43207514
N-[(1R)-1-(3-fluorophenyl)ethyl]-4-methylpentan-1-amine
CID 83155543
(2R)-1-[[(1R)-1-(3-fluorophenyl)ethyl]amino]propan-2-ol
CID 93081927
2-[2-[1-(6-methoxynaphthalen-2-yl)ethylamino]ethoxy]ethanol
CID 43207599
N-[1-(3-fluorophenyl)ethyl]octan-1-amine
CID 43085696
2-chloro-N-[(1R)-1-(3-fluorophenyl)ethyl]prop-2-en-1-amine
CID 81365572
3,3-diethoxy-N-[(1S)-1-(3-fluorophenyl)ethyl]propan-1-amine
CID 81365209
4-[[(1R)-1-(3-fluorophenyl)ethyl]amino]butanoic acid
CID 81365721
3,3-diethoxy-N-[1-(3-fluorophenyl)ethyl]propan-1-amine
CID 81094494
(1R)-1-(3-methylphenyl)-N-(2-propoxyethyl)ethanamine
CID 106452285

Frequently Asked Questions

What is the IUPAC name of 2-[2-[[(1R)-1-(3-fluorophenyl)ethyl]amino]ethoxy]ethanol?
The IUPAC name of 2-[2-[[(1R)-1-(3-fluorophenyl)ethyl]amino]ethoxy]ethanol (CID 28727780) is 2-[2-[[(1R)-1-(3-fluorophenyl)ethyl]amino]ethoxy]ethanol.
What is the SMILES notation for 2-[2-[[(1R)-1-(3-fluorophenyl)ethyl]amino]ethoxy]ethanol?
The canonical SMILES for 2-[2-[[(1R)-1-(3-fluorophenyl)ethyl]amino]ethoxy]ethanol is C[C@@H](NCCOCCO)c1cccc(F)c1.
What is the InChIKey of 2-[2-[[(1R)-1-(3-fluorophenyl)ethyl]amino]ethoxy]ethanol?
The InChIKey is WDJIQMLOSSPDJD-SNVBAGLBSA-N. The full InChI is InChI=1S/C12H18FNO2/c1-10(14-5-7-16-8-6-15)11-3-2-4-12(13)9-11/h2-4,9-10,14-15H,5-8H2,1H3/t10-/m1/s1.
What are the key properties of 2-[2-[[(1R)-1-(3-fluorophenyl)ethyl]amino]ethoxy]ethanol?
2-[2-[[(1R)-1-(3-fluorophenyl)ethyl]amino]ethoxy]ethanol has a molecular weight of 227.28 g/mol, XLogP of 1.49, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[[(1R)-1-(3-fluorophenyl)ethyl]amino]ethoxy]ethanol is sourced from PubChem (CID 28727780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).