1-(2-fluorophenyl)-2-[(1-methoxy-2-methylpropan-2-yl)amino]ethanol

C13H20FNO2 — CID 115609445

IUPAC1-(2-fluorophenyl)-2-[(1-methoxy-2-methylpropan-2-yl)amino]ethanol
SMILESCOCC(C)(C)NCC(O)c1ccccc1F
InChIInChI=1S/C13H20FNO2/c1-13(2,9-17-3)15-8-12(16)10-6-4-5-7-11(10)14/h4-7,12,15-16H,8-9H2,1-3H3
InChIKeyLNOIBOZKFIPYAF-UHFFFAOYSA-N
MW241.31 g/mol
LogP1.87
Rot. Bonds6

About 1-(2-fluorophenyl)-2-[(1-methoxy-2-methylpropan-2-yl)amino]ethanol

1-(2-fluorophenyl)-2-[(1-methoxy-2-methylpropan-2-yl)amino]ethanol (PubChem CID 115609445) has the molecular formula C13H20FNO2 and a molecular weight of 241.31 g/mol. Its IUPAC name is 1-(2-fluorophenyl)-2-[(1-methoxy-2-methylpropan-2-yl)amino]ethanol.

Molecular Properties

Compound Name1-(2-fluorophenyl)-2-[(1-methoxy-2-methylpropan-2-yl)amino]ethanol
PubChem CID115609445
Molecular FormulaC13H20FNO2
Molecular Weight241.31 g/mol
Exact Mass241.15
IUPAC Name1-(2-fluorophenyl)-2-[(1-methoxy-2-methylpropan-2-yl)amino]ethanol
SMILESCOCC(C)(C)NCC(O)c1ccccc1F
InChIInChI=1S/C13H20FNO2/c1-13(2,9-17-3)15-8-12(16)10-6-4-5-7-11(10)14/h4-7,12,15-16H,8-9H2,1-3H3
InChIKeyLNOIBOZKFIPYAF-UHFFFAOYSA-N
XLogP1.87
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.31
LogP ≤ 51.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 1-(2-fluorophenyl)-2-[(1-methoxy-2-methylpropan-2-yl)amino]ethanol?
The IUPAC name of 1-(2-fluorophenyl)-2-[(1-methoxy-2-methylpropan-2-yl)amino]ethanol (CID 115609445) is 1-(2-fluorophenyl)-2-[(1-methoxy-2-methylpropan-2-yl)amino]ethanol.
What is the SMILES notation for 1-(2-fluorophenyl)-2-[(1-methoxy-2-methylpropan-2-yl)amino]ethanol?
The canonical SMILES for 1-(2-fluorophenyl)-2-[(1-methoxy-2-methylpropan-2-yl)amino]ethanol is COCC(C)(C)NCC(O)c1ccccc1F.
What is the InChIKey of 1-(2-fluorophenyl)-2-[(1-methoxy-2-methylpropan-2-yl)amino]ethanol?
The InChIKey is LNOIBOZKFIPYAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20FNO2/c1-13(2,9-17-3)15-8-12(16)10-6-4-5-7-11(10)14/h4-7,12,15-16H,8-9H2,1-3H3.
What are the key properties of 1-(2-fluorophenyl)-2-[(1-methoxy-2-methylpropan-2-yl)amino]ethanol?
1-(2-fluorophenyl)-2-[(1-methoxy-2-methylpropan-2-yl)amino]ethanol has a molecular weight of 241.31 g/mol, XLogP of 1.87, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluorophenyl)-2-[(1-methoxy-2-methylpropan-2-yl)amino]ethanol is sourced from PubChem (CID 115609445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).