4-[[3-methyl-5-[(2-methylpropan-2-yl)oxy]phenyl]methyl]morpholine

C16H25NO2 — CID 21060369

IUPAC4-[[3-methyl-5-[(2-methylpropan-2-yl)oxy]phenyl]methyl]morpholine
SMILESCc1cc(CN2CCOCC2)cc(OC(C)(C)C)c1
InChIInChI=1S/C16H25NO2/c1-13-9-14(12-17-5-7-18-8-6-17)11-15(10-13)19-16(2,3)4/h9-11H,5-8,12H2,1-4H3
InChIKeyUBNSGTKAVLPWNJ-UHFFFAOYSA-N
MW263.38 g/mol
LogP3.00
Rot. Bonds3

About 4-[[3-methyl-5-[(2-methylpropan-2-yl)oxy]phenyl]methyl]morpholine

4-[[3-methyl-5-[(2-methylpropan-2-yl)oxy]phenyl]methyl]morpholine (PubChem CID 21060369) has the molecular formula C16H25NO2 and a molecular weight of 263.38 g/mol. Its IUPAC name is 4-[[3-methyl-5-[(2-methylpropan-2-yl)oxy]phenyl]methyl]morpholine.

Molecular Properties

Compound Name4-[[3-methyl-5-[(2-methylpropan-2-yl)oxy]phenyl]methyl]morpholine
PubChem CID21060369
Molecular FormulaC16H25NO2
Molecular Weight263.38 g/mol
Exact Mass263.19
IUPAC Name4-[[3-methyl-5-[(2-methylpropan-2-yl)oxy]phenyl]methyl]morpholine
SMILESCc1cc(CN2CCOCC2)cc(OC(C)(C)C)c1
InChIInChI=1S/C16H25NO2/c1-13-9-14(12-17-5-7-18-8-6-17)11-15(10-13)19-16(2,3)4/h9-11H,5-8,12H2,1-4H3
InChIKeyUBNSGTKAVLPWNJ-UHFFFAOYSA-N
XLogP3.00
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 53.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[[3-methyl-5-[(2-methylpropan-2-yl)oxy]phenyl]methyl]morpholine?
The IUPAC name of 4-[[3-methyl-5-[(2-methylpropan-2-yl)oxy]phenyl]methyl]morpholine (CID 21060369) is 4-[[3-methyl-5-[(2-methylpropan-2-yl)oxy]phenyl]methyl]morpholine.
What is the SMILES notation for 4-[[3-methyl-5-[(2-methylpropan-2-yl)oxy]phenyl]methyl]morpholine?
The canonical SMILES for 4-[[3-methyl-5-[(2-methylpropan-2-yl)oxy]phenyl]methyl]morpholine is Cc1cc(CN2CCOCC2)cc(OC(C)(C)C)c1.
What is the InChIKey of 4-[[3-methyl-5-[(2-methylpropan-2-yl)oxy]phenyl]methyl]morpholine?
The InChIKey is UBNSGTKAVLPWNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO2/c1-13-9-14(12-17-5-7-18-8-6-17)11-15(10-13)19-16(2,3)4/h9-11H,5-8,12H2,1-4H3.
What are the key properties of 4-[[3-methyl-5-[(2-methylpropan-2-yl)oxy]phenyl]methyl]morpholine?
4-[[3-methyl-5-[(2-methylpropan-2-yl)oxy]phenyl]methyl]morpholine has a molecular weight of 263.38 g/mol, XLogP of 3.00, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[3-methyl-5-[(2-methylpropan-2-yl)oxy]phenyl]methyl]morpholine is sourced from PubChem (CID 21060369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).