1-(4-chlorophenyl)-2-[[4-(4-fluorophenyl)oxan-4-yl]amino]ethanol

C19H21ClFNO2 — CID 111109049

IUPAC1-(4-chlorophenyl)-2-[[4-(4-fluorophenyl)oxan-4-yl]amino]ethanol
SMILESOC(CNC1(c2ccc(F)cc2)CCOCC1)c1ccc(Cl)cc1
InChIInChI=1S/C19H21ClFNO2/c20-16-5-1-14(2-6-16)18(23)13-22-19(9-11-24-12-10-19)15-3-7-17(21)8-4-15/h1-8,18,22-23H,9-13H2
InChIKeyWRIGNWRWLGZBKE-UHFFFAOYSA-N
MW349.83 g/mol
LogP3.81
Rot. Bonds5

About 1-(4-chlorophenyl)-2-[[4-(4-fluorophenyl)oxan-4-yl]amino]ethanol

1-(4-chlorophenyl)-2-[[4-(4-fluorophenyl)oxan-4-yl]amino]ethanol (PubChem CID 111109049) has the molecular formula C19H21ClFNO2 and a molecular weight of 349.83 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-2-[[4-(4-fluorophenyl)oxan-4-yl]amino]ethanol.

Molecular Properties

Compound Name1-(4-chlorophenyl)-2-[[4-(4-fluorophenyl)oxan-4-yl]amino]ethanol
PubChem CID111109049
Molecular FormulaC19H21ClFNO2
Molecular Weight349.83 g/mol
Exact Mass349.12
IUPAC Name1-(4-chlorophenyl)-2-[[4-(4-fluorophenyl)oxan-4-yl]amino]ethanol
SMILESOC(CNC1(c2ccc(F)cc2)CCOCC1)c1ccc(Cl)cc1
InChIInChI=1S/C19H21ClFNO2/c20-16-5-1-14(2-6-16)18(23)13-22-19(9-11-24-12-10-19)15-3-7-17(21)8-4-15/h1-8,18,22-23H,9-13H2
InChIKeyWRIGNWRWLGZBKE-UHFFFAOYSA-N
XLogP3.81
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.83
LogP ≤ 53.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-2-[[4-(4-fluorophenyl)oxan-4-yl]amino]ethanol?
The IUPAC name of 1-(4-chlorophenyl)-2-[[4-(4-fluorophenyl)oxan-4-yl]amino]ethanol (CID 111109049) is 1-(4-chlorophenyl)-2-[[4-(4-fluorophenyl)oxan-4-yl]amino]ethanol.
What is the SMILES notation for 1-(4-chlorophenyl)-2-[[4-(4-fluorophenyl)oxan-4-yl]amino]ethanol?
The canonical SMILES for 1-(4-chlorophenyl)-2-[[4-(4-fluorophenyl)oxan-4-yl]amino]ethanol is OC(CNC1(c2ccc(F)cc2)CCOCC1)c1ccc(Cl)cc1.
What is the InChIKey of 1-(4-chlorophenyl)-2-[[4-(4-fluorophenyl)oxan-4-yl]amino]ethanol?
The InChIKey is WRIGNWRWLGZBKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21ClFNO2/c20-16-5-1-14(2-6-16)18(23)13-22-19(9-11-24-12-10-19)15-3-7-17(21)8-4-15/h1-8,18,22-23H,9-13H2.
What are the key properties of 1-(4-chlorophenyl)-2-[[4-(4-fluorophenyl)oxan-4-yl]amino]ethanol?
1-(4-chlorophenyl)-2-[[4-(4-fluorophenyl)oxan-4-yl]amino]ethanol has a molecular weight of 349.83 g/mol, XLogP of 3.81, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-2-[[4-(4-fluorophenyl)oxan-4-yl]amino]ethanol is sourced from PubChem (CID 111109049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).