4-(5-tert-butyl-2-propan-2-ylphenyl)morpholine

C17H27NO — CID 176746640

IUPAC4-(5-tert-butyl-2-propan-2-ylphenyl)morpholine
SMILESCC(C)c1ccc(C(C)(C)C)cc1N1CCOCC1
InChIInChI=1S/C17H27NO/c1-13(2)15-7-6-14(17(3,4)5)12-16(15)18-8-10-19-11-9-18/h6-7,12-13H,8-11H2,1-5H3
InChIKeyNBSSYBJLSIOILJ-UHFFFAOYSA-N
MW261.41 g/mol
LogP3.94
Rot. Bonds2

About 4-(5-tert-butyl-2-propan-2-ylphenyl)morpholine

4-(5-tert-butyl-2-propan-2-ylphenyl)morpholine (PubChem CID 176746640) has the molecular formula C17H27NO and a molecular weight of 261.41 g/mol. Its IUPAC name is 4-(5-tert-butyl-2-propan-2-ylphenyl)morpholine.

Molecular Properties

Compound Name4-(5-tert-butyl-2-propan-2-ylphenyl)morpholine
PubChem CID176746640
Molecular FormulaC17H27NO
Molecular Weight261.41 g/mol
Exact Mass261.21
IUPAC Name4-(5-tert-butyl-2-propan-2-ylphenyl)morpholine
SMILESCC(C)c1ccc(C(C)(C)C)cc1N1CCOCC1
InChIInChI=1S/C17H27NO/c1-13(2)15-7-6-14(17(3,4)5)12-16(15)18-8-10-19-11-9-18/h6-7,12-13H,8-11H2,1-5H3
InChIKeyNBSSYBJLSIOILJ-UHFFFAOYSA-N
XLogP3.94
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.41
LogP ≤ 53.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(5-tert-butyl-2-propan-2-ylphenyl)morpholine?
The IUPAC name of 4-(5-tert-butyl-2-propan-2-ylphenyl)morpholine (CID 176746640) is 4-(5-tert-butyl-2-propan-2-ylphenyl)morpholine.
What is the SMILES notation for 4-(5-tert-butyl-2-propan-2-ylphenyl)morpholine?
The canonical SMILES for 4-(5-tert-butyl-2-propan-2-ylphenyl)morpholine is CC(C)c1ccc(C(C)(C)C)cc1N1CCOCC1.
What is the InChIKey of 4-(5-tert-butyl-2-propan-2-ylphenyl)morpholine?
The InChIKey is NBSSYBJLSIOILJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO/c1-13(2)15-7-6-14(17(3,4)5)12-16(15)18-8-10-19-11-9-18/h6-7,12-13H,8-11H2,1-5H3.
What are the key properties of 4-(5-tert-butyl-2-propan-2-ylphenyl)morpholine?
4-(5-tert-butyl-2-propan-2-ylphenyl)morpholine has a molecular weight of 261.41 g/mol, XLogP of 3.94, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-tert-butyl-2-propan-2-ylphenyl)morpholine is sourced from PubChem (CID 176746640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).