2-[[4-(5-amino-2-methylphenyl)-6-[4-(fluoromethyl)oxan-4-yl]-2-pyridinyl]oxy]ethanol

C20H25FN2O3 — CID 135133703

IUPAC2-[[4-(5-amino-2-methylphenyl)-6-[4-(fluoromethyl)oxan-4-yl]-2-pyridinyl]oxy]ethanol
SMILESCc1ccc(N)cc1-c1cc(OCCO)nc(C2(CF)CCOCC2)c1
InChIInChI=1S/C20H25FN2O3/c1-14-2-3-16(22)12-17(14)15-10-18(23-19(11-15)26-9-6-24)20(13-21)4-7-25-8-5-20/h2-3,10-12,24H,4-9,13,22H2,1H3
InChIKeyLGGVKRGTXKMUOT-UHFFFAOYSA-N
MW360.43 g/mol
LogP3.03
Rot. Bonds6

About 2-[[4-(5-amino-2-methylphenyl)-6-[4-(fluoromethyl)oxan-4-yl]-2-pyridinyl]oxy]ethanol

2-[[4-(5-amino-2-methylphenyl)-6-[4-(fluoromethyl)oxan-4-yl]-2-pyridinyl]oxy]ethanol (PubChem CID 135133703) has the molecular formula C20H25FN2O3 and a molecular weight of 360.43 g/mol. Its IUPAC name is 2-[[4-(5-amino-2-methylphenyl)-6-[4-(fluoromethyl)oxan-4-yl]-2-pyridinyl]oxy]ethanol.

Molecular Properties

Compound Name2-[[4-(5-amino-2-methylphenyl)-6-[4-(fluoromethyl)oxan-4-yl]-2-pyridinyl]oxy]ethanol
PubChem CID135133703
Molecular FormulaC20H25FN2O3
Molecular Weight360.43 g/mol
Exact Mass360.18
IUPAC Name2-[[4-(5-amino-2-methylphenyl)-6-[4-(fluoromethyl)oxan-4-yl]-2-pyridinyl]oxy]ethanol
SMILESCc1ccc(N)cc1-c1cc(OCCO)nc(C2(CF)CCOCC2)c1
InChIInChI=1S/C20H25FN2O3/c1-14-2-3-16(22)12-17(14)15-10-18(23-19(11-15)26-9-6-24)20(13-21)4-7-25-8-5-20/h2-3,10-12,24H,4-9,13,22H2,1H3
InChIKeyLGGVKRGTXKMUOT-UHFFFAOYSA-N
XLogP3.03
TPSA77.60 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.43
LogP ≤ 53.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[[4-(5-amino-2-methylphenyl)-6-[4-(fluoromethyl)oxan-4-yl]-2-pyridinyl]oxy]ethanol?
The IUPAC name of 2-[[4-(5-amino-2-methylphenyl)-6-[4-(fluoromethyl)oxan-4-yl]-2-pyridinyl]oxy]ethanol (CID 135133703) is 2-[[4-(5-amino-2-methylphenyl)-6-[4-(fluoromethyl)oxan-4-yl]-2-pyridinyl]oxy]ethanol.
What is the SMILES notation for 2-[[4-(5-amino-2-methylphenyl)-6-[4-(fluoromethyl)oxan-4-yl]-2-pyridinyl]oxy]ethanol?
The canonical SMILES for 2-[[4-(5-amino-2-methylphenyl)-6-[4-(fluoromethyl)oxan-4-yl]-2-pyridinyl]oxy]ethanol is Cc1ccc(N)cc1-c1cc(OCCO)nc(C2(CF)CCOCC2)c1.
What is the InChIKey of 2-[[4-(5-amino-2-methylphenyl)-6-[4-(fluoromethyl)oxan-4-yl]-2-pyridinyl]oxy]ethanol?
The InChIKey is LGGVKRGTXKMUOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25FN2O3/c1-14-2-3-16(22)12-17(14)15-10-18(23-19(11-15)26-9-6-24)20(13-21)4-7-25-8-5-20/h2-3,10-12,24H,4-9,13,22H2,1H3.
What are the key properties of 2-[[4-(5-amino-2-methylphenyl)-6-[4-(fluoromethyl)oxan-4-yl]-2-pyridinyl]oxy]ethanol?
2-[[4-(5-amino-2-methylphenyl)-6-[4-(fluoromethyl)oxan-4-yl]-2-pyridinyl]oxy]ethanol has a molecular weight of 360.43 g/mol, XLogP of 3.03, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(5-amino-2-methylphenyl)-6-[4-(fluoromethyl)oxan-4-yl]-2-pyridinyl]oxy]ethanol is sourced from PubChem (CID 135133703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).