2-[[(1R)-1-(3-fluoro-4-morpholin-4-ylphenyl)ethyl]amino]ethanol

C14H21FN2O2 — CID 29038908

IUPAC2-[[(1R)-1-(3-fluoro-4-morpholin-4-ylphenyl)ethyl]amino]ethanol
SMILESC[C@@H](NCCO)c1ccc(N2CCOCC2)c(F)c1
InChIInChI=1S/C14H21FN2O2/c1-11(16-4-7-18)12-2-3-14(13(15)10-12)17-5-8-19-9-6-17/h2-3,10-11,16,18H,4-9H2,1H3/t11-/m1/s1
InChIKeyCWPIZKNZDVJVNS-LLVKDONJSA-N
MW268.33 g/mol
LogP1.31
Rot. Bonds5

About 2-[[(1R)-1-(3-fluoro-4-morpholin-4-ylphenyl)ethyl]amino]ethanol

2-[[(1R)-1-(3-fluoro-4-morpholin-4-ylphenyl)ethyl]amino]ethanol (PubChem CID 29038908) has the molecular formula C14H21FN2O2 and a molecular weight of 268.33 g/mol. Its IUPAC name is 2-[[(1R)-1-(3-fluoro-4-morpholin-4-ylphenyl)ethyl]amino]ethanol.

Molecular Properties

Compound Name2-[[(1R)-1-(3-fluoro-4-morpholin-4-ylphenyl)ethyl]amino]ethanol
PubChem CID29038908
Molecular FormulaC14H21FN2O2
Molecular Weight268.33 g/mol
Exact Mass268.16
IUPAC Name2-[[(1R)-1-(3-fluoro-4-morpholin-4-ylphenyl)ethyl]amino]ethanol
SMILESC[C@@H](NCCO)c1ccc(N2CCOCC2)c(F)c1
InChIInChI=1S/C14H21FN2O2/c1-11(16-4-7-18)12-2-3-14(13(15)10-12)17-5-8-19-9-6-17/h2-3,10-11,16,18H,4-9H2,1H3/t11-/m1/s1
InChIKeyCWPIZKNZDVJVNS-LLVKDONJSA-N
XLogP1.31
TPSA44.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.33
LogP ≤ 51.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}

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Related Compounds

N-ethyl-1-[3-fluoro-4-(1,4-oxazepan-4-yl)phenyl]ethanamine
CID 62974667
4-(2-fluoro-4-propan-2-ylphenyl)morpholine
CID 59216821
1-(3-fluoro-4-morpholin-4-ylphenyl)-N-(oxolan-2-ylmethyl)ethanamine
CID 164664251
N-[(1R)-1-(3-fluoro-4-pyrrolidin-1-ylphenyl)ethyl]propan-1-amine
CID 29080194
(1R)-N-[(3-fluoro-4-morpholin-4-ylphenyl)methyl]-1-(4-fluorophenyl)ethanamine
CID 95177713
N-[(1S)-1-[4-(azepan-1-yl)-3-fluorophenyl]ethyl]propan-1-amine
CID 29080205
N-[(1S)-1-(3-fluoro-4-piperidin-1-ylphenyl)ethyl]-3-methylbutan-1-amine
CID 28963934
(1R)-1-[3-fluoro-4-(1,4-oxazepan-4-yl)phenyl]ethanol
CID 78941064
3-(3-fluoro-4-morpholin-4-ylphenyl)butan-1-amine
CID 117384370
N-[(1R)-1-(3-fluoro-4-pyrrolidin-1-ylphenyl)ethyl]pentan-1-amine
CID 29064023
2-fluoro-4-[(1S)-1-(2-hydroxyethylamino)ethyl]phenol
CID 29038991
1-[2-fluoro-4-[1-(propylamino)ethyl]phenyl]pyrrolidine-3,4-diol
CID 106669966

Frequently Asked Questions

What is the IUPAC name of 2-[[(1R)-1-(3-fluoro-4-morpholin-4-ylphenyl)ethyl]amino]ethanol?
The IUPAC name of 2-[[(1R)-1-(3-fluoro-4-morpholin-4-ylphenyl)ethyl]amino]ethanol (CID 29038908) is 2-[[(1R)-1-(3-fluoro-4-morpholin-4-ylphenyl)ethyl]amino]ethanol.
What is the SMILES notation for 2-[[(1R)-1-(3-fluoro-4-morpholin-4-ylphenyl)ethyl]amino]ethanol?
The canonical SMILES for 2-[[(1R)-1-(3-fluoro-4-morpholin-4-ylphenyl)ethyl]amino]ethanol is C[C@@H](NCCO)c1ccc(N2CCOCC2)c(F)c1.
What is the InChIKey of 2-[[(1R)-1-(3-fluoro-4-morpholin-4-ylphenyl)ethyl]amino]ethanol?
The InChIKey is CWPIZKNZDVJVNS-LLVKDONJSA-N. The full InChI is InChI=1S/C14H21FN2O2/c1-11(16-4-7-18)12-2-3-14(13(15)10-12)17-5-8-19-9-6-17/h2-3,10-11,16,18H,4-9H2,1H3/t11-/m1/s1.
What are the key properties of 2-[[(1R)-1-(3-fluoro-4-morpholin-4-ylphenyl)ethyl]amino]ethanol?
2-[[(1R)-1-(3-fluoro-4-morpholin-4-ylphenyl)ethyl]amino]ethanol has a molecular weight of 268.33 g/mol, XLogP of 1.31, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(1R)-1-(3-fluoro-4-morpholin-4-ylphenyl)ethyl]amino]ethanol is sourced from PubChem (CID 29038908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).