5-(4-tert-butylphenyl)-2-methylmorpholine

C15H23NO — CID 82290188

IUPAC5-(4-tert-butylphenyl)-2-methylmorpholine
SMILESCC1CNC(c2ccc(C(C)(C)C)cc2)CO1
InChIInChI=1S/C15H23NO/c1-11-9-16-14(10-17-11)12-5-7-13(8-6-12)15(2,3)4/h5-8,11,14,16H,9-10H2,1-4H3
InChIKeyNUNFMIVXCJBDRB-UHFFFAOYSA-N
MW233.35 g/mol
LogP3.03
Rot. Bonds1

About 5-(4-tert-butylphenyl)-2-methylmorpholine

5-(4-tert-butylphenyl)-2-methylmorpholine (PubChem CID 82290188) has the molecular formula C15H23NO and a molecular weight of 233.35 g/mol. Its IUPAC name is 5-(4-tert-butylphenyl)-2-methylmorpholine.

Molecular Properties

Compound Name5-(4-tert-butylphenyl)-2-methylmorpholine
PubChem CID82290188
Molecular FormulaC15H23NO
Molecular Weight233.35 g/mol
Exact Mass233.18
IUPAC Name5-(4-tert-butylphenyl)-2-methylmorpholine
SMILESCC1CNC(c2ccc(C(C)(C)C)cc2)CO1
InChIInChI=1S/C15H23NO/c1-11-9-16-14(10-17-11)12-5-7-13(8-6-12)15(2,3)4/h5-8,11,14,16H,9-10H2,1-4H3
InChIKeyNUNFMIVXCJBDRB-UHFFFAOYSA-N
XLogP3.03
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.35
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-(4-tert-butylphenyl)-2-methylmorpholine?
The IUPAC name of 5-(4-tert-butylphenyl)-2-methylmorpholine (CID 82290188) is 5-(4-tert-butylphenyl)-2-methylmorpholine.
What is the SMILES notation for 5-(4-tert-butylphenyl)-2-methylmorpholine?
The canonical SMILES for 5-(4-tert-butylphenyl)-2-methylmorpholine is CC1CNC(c2ccc(C(C)(C)C)cc2)CO1.
What is the InChIKey of 5-(4-tert-butylphenyl)-2-methylmorpholine?
The InChIKey is NUNFMIVXCJBDRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO/c1-11-9-16-14(10-17-11)12-5-7-13(8-6-12)15(2,3)4/h5-8,11,14,16H,9-10H2,1-4H3.
What are the key properties of 5-(4-tert-butylphenyl)-2-methylmorpholine?
5-(4-tert-butylphenyl)-2-methylmorpholine has a molecular weight of 233.35 g/mol, XLogP of 3.03, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-tert-butylphenyl)-2-methylmorpholine is sourced from PubChem (CID 82290188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).