4-(4-tert-butylphenyl)-3-methylidenemorpholine

C15H21NO — CID 123190442

IUPAC4-(4-tert-butylphenyl)-3-methylidenemorpholine
SMILESC=C1COCCN1c1ccc(C(C)(C)C)cc1
InChIInChI=1S/C15H21NO/c1-12-11-17-10-9-16(12)14-7-5-13(6-8-14)15(2,3)4/h5-8H,1,9-11H2,2-4H3
InChIKeyNMQDALLHFNZRCD-UHFFFAOYSA-N
MW231.34 g/mol
LogP3.33
Rot. Bonds1

About 4-(4-tert-butylphenyl)-3-methylidenemorpholine

4-(4-tert-butylphenyl)-3-methylidenemorpholine (PubChem CID 123190442) has the molecular formula C15H21NO and a molecular weight of 231.34 g/mol. Its IUPAC name is 4-(4-tert-butylphenyl)-3-methylidenemorpholine.

Molecular Properties

Compound Name4-(4-tert-butylphenyl)-3-methylidenemorpholine
PubChem CID123190442
Molecular FormulaC15H21NO
Molecular Weight231.34 g/mol
Exact Mass231.16
IUPAC Name4-(4-tert-butylphenyl)-3-methylidenemorpholine
SMILESC=C1COCCN1c1ccc(C(C)(C)C)cc1
InChIInChI=1S/C15H21NO/c1-12-11-17-10-9-16(12)14-7-5-13(6-8-14)15(2,3)4/h5-8H,1,9-11H2,2-4H3
InChIKeyNMQDALLHFNZRCD-UHFFFAOYSA-N
XLogP3.33
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.34
LogP ≤ 53.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(4-tert-butylphenyl)-3-methylidenemorpholine?
The IUPAC name of 4-(4-tert-butylphenyl)-3-methylidenemorpholine (CID 123190442) is 4-(4-tert-butylphenyl)-3-methylidenemorpholine.
What is the SMILES notation for 4-(4-tert-butylphenyl)-3-methylidenemorpholine?
The canonical SMILES for 4-(4-tert-butylphenyl)-3-methylidenemorpholine is C=C1COCCN1c1ccc(C(C)(C)C)cc1.
What is the InChIKey of 4-(4-tert-butylphenyl)-3-methylidenemorpholine?
The InChIKey is NMQDALLHFNZRCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO/c1-12-11-17-10-9-16(12)14-7-5-13(6-8-14)15(2,3)4/h5-8H,1,9-11H2,2-4H3.
What are the key properties of 4-(4-tert-butylphenyl)-3-methylidenemorpholine?
4-(4-tert-butylphenyl)-3-methylidenemorpholine has a molecular weight of 231.34 g/mol, XLogP of 3.33, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-tert-butylphenyl)-3-methylidenemorpholine is sourced from PubChem (CID 123190442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).