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

C19H21ClFNO2 — CID 111109045

IUPAC2-[[4-(4-chlorophenyl)oxan-4-yl]amino]-1-(4-fluorophenyl)ethanol
SMILESOC(CNC1(c2ccc(Cl)cc2)CCOCC1)c1ccc(F)cc1
InChIInChI=1S/C19H21ClFNO2/c20-16-5-3-15(4-6-16)19(9-11-24-12-10-19)22-13-18(23)14-1-7-17(21)8-2-14/h1-8,18,22-23H,9-13H2
InChIKeyASZHJXZBJKTAIU-UHFFFAOYSA-N
MW349.83 g/mol
LogP3.81
Rot. Bonds5

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

2-[[4-(4-chlorophenyl)oxan-4-yl]amino]-1-(4-fluorophenyl)ethanol (PubChem CID 111109045) has the molecular formula C19H21ClFNO2 and a molecular weight of 349.83 g/mol. Its IUPAC name is 2-[[4-(4-chlorophenyl)oxan-4-yl]amino]-1-(4-fluorophenyl)ethanol.

Molecular Properties

Compound Name2-[[4-(4-chlorophenyl)oxan-4-yl]amino]-1-(4-fluorophenyl)ethanol
PubChem CID111109045
Molecular FormulaC19H21ClFNO2
Molecular Weight349.83 g/mol
Exact Mass349.12
IUPAC Name2-[[4-(4-chlorophenyl)oxan-4-yl]amino]-1-(4-fluorophenyl)ethanol
SMILESOC(CNC1(c2ccc(Cl)cc2)CCOCC1)c1ccc(F)cc1
InChIInChI=1S/C19H21ClFNO2/c20-16-5-3-15(4-6-16)19(9-11-24-12-10-19)22-13-18(23)14-1-7-17(21)8-2-14/h1-8,18,22-23H,9-13H2
InChIKeyASZHJXZBJKTAIU-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 2-[[4-(4-chlorophenyl)oxan-4-yl]amino]-1-(4-fluorophenyl)ethanol?
The IUPAC name of 2-[[4-(4-chlorophenyl)oxan-4-yl]amino]-1-(4-fluorophenyl)ethanol (CID 111109045) is 2-[[4-(4-chlorophenyl)oxan-4-yl]amino]-1-(4-fluorophenyl)ethanol.
What is the SMILES notation for 2-[[4-(4-chlorophenyl)oxan-4-yl]amino]-1-(4-fluorophenyl)ethanol?
The canonical SMILES for 2-[[4-(4-chlorophenyl)oxan-4-yl]amino]-1-(4-fluorophenyl)ethanol is OC(CNC1(c2ccc(Cl)cc2)CCOCC1)c1ccc(F)cc1.
What is the InChIKey of 2-[[4-(4-chlorophenyl)oxan-4-yl]amino]-1-(4-fluorophenyl)ethanol?
The InChIKey is ASZHJXZBJKTAIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21ClFNO2/c20-16-5-3-15(4-6-16)19(9-11-24-12-10-19)22-13-18(23)14-1-7-17(21)8-2-14/h1-8,18,22-23H,9-13H2.
What are the key properties of 2-[[4-(4-chlorophenyl)oxan-4-yl]amino]-1-(4-fluorophenyl)ethanol?
2-[[4-(4-chlorophenyl)oxan-4-yl]amino]-1-(4-fluorophenyl)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 2-[[4-(4-chlorophenyl)oxan-4-yl]amino]-1-(4-fluorophenyl)ethanol is sourced from PubChem (CID 111109045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).