2-methyl-5-[4-[(2-methylpropan-2-yl)oxy]phenyl]morpholine

C15H23NO2 — CID 82297057

IUPAC2-methyl-5-[4-[(2-methylpropan-2-yl)oxy]phenyl]morpholine
SMILESCC1CNC(c2ccc(OC(C)(C)C)cc2)CO1
InChIInChI=1S/C15H23NO2/c1-11-9-16-14(10-17-11)12-5-7-13(8-6-12)18-15(2,3)4/h5-8,11,14,16H,9-10H2,1-4H3
InChIKeyFNKOBMLCWSXRBJ-UHFFFAOYSA-N
MW249.35 g/mol
LogP2.91
Rot. Bonds2

About 2-methyl-5-[4-[(2-methylpropan-2-yl)oxy]phenyl]morpholine

2-methyl-5-[4-[(2-methylpropan-2-yl)oxy]phenyl]morpholine (PubChem CID 82297057) has the molecular formula C15H23NO2 and a molecular weight of 249.35 g/mol. Its IUPAC name is 2-methyl-5-[4-[(2-methylpropan-2-yl)oxy]phenyl]morpholine.

Molecular Properties

Compound Name2-methyl-5-[4-[(2-methylpropan-2-yl)oxy]phenyl]morpholine
PubChem CID82297057
Molecular FormulaC15H23NO2
Molecular Weight249.35 g/mol
Exact Mass249.17
IUPAC Name2-methyl-5-[4-[(2-methylpropan-2-yl)oxy]phenyl]morpholine
SMILESCC1CNC(c2ccc(OC(C)(C)C)cc2)CO1
InChIInChI=1S/C15H23NO2/c1-11-9-16-14(10-17-11)12-5-7-13(8-6-12)18-15(2,3)4/h5-8,11,14,16H,9-10H2,1-4H3
InChIKeyFNKOBMLCWSXRBJ-UHFFFAOYSA-N
XLogP2.91
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.35
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-[4-[(2-methylpropan-2-yl)oxy]phenyl]morpholine?
The IUPAC name of 2-methyl-5-[4-[(2-methylpropan-2-yl)oxy]phenyl]morpholine (CID 82297057) is 2-methyl-5-[4-[(2-methylpropan-2-yl)oxy]phenyl]morpholine.
What is the SMILES notation for 2-methyl-5-[4-[(2-methylpropan-2-yl)oxy]phenyl]morpholine?
The canonical SMILES for 2-methyl-5-[4-[(2-methylpropan-2-yl)oxy]phenyl]morpholine is CC1CNC(c2ccc(OC(C)(C)C)cc2)CO1.
What is the InChIKey of 2-methyl-5-[4-[(2-methylpropan-2-yl)oxy]phenyl]morpholine?
The InChIKey is FNKOBMLCWSXRBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO2/c1-11-9-16-14(10-17-11)12-5-7-13(8-6-12)18-15(2,3)4/h5-8,11,14,16H,9-10H2,1-4H3.
What are the key properties of 2-methyl-5-[4-[(2-methylpropan-2-yl)oxy]phenyl]morpholine?
2-methyl-5-[4-[(2-methylpropan-2-yl)oxy]phenyl]morpholine has a molecular weight of 249.35 g/mol, XLogP of 2.91, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-[4-[(2-methylpropan-2-yl)oxy]phenyl]morpholine is sourced from PubChem (CID 82297057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).