(3R)-3-benzyl-4-tert-butylmorpholine

C15H23NO — CID 138601634

IUPAC(3R)-3-benzyl-4-tert-butylmorpholine
SMILESCC(C)(C)N1CCOC[C@H]1Cc1ccccc1
InChIInChI=1S/C15H23NO/c1-15(2,3)16-9-10-17-12-14(16)11-13-7-5-4-6-8-13/h4-8,14H,9-12H2,1-3H3/t14-/m1/s1
InChIKeyJJCWPMJPXBHCEK-CQSZACIVSA-N
MW233.36 g/mol
LogP2.73
Rot. Bonds2

About (3R)-3-benzyl-4-tert-butylmorpholine

(3R)-3-benzyl-4-tert-butylmorpholine (PubChem CID 138601634) has the molecular formula C15H23NO and a molecular weight of 233.36 g/mol. Its IUPAC name is (3R)-3-benzyl-4-tert-butylmorpholine.

Molecular Properties

Compound Name(3R)-3-benzyl-4-tert-butylmorpholine
PubChem CID138601634
Molecular FormulaC15H23NO
Molecular Weight233.36 g/mol
Exact Mass233.18
IUPAC Name(3R)-3-benzyl-4-tert-butylmorpholine
SMILESCC(C)(C)N1CCOC[C@H]1Cc1ccccc1
InChIInChI=1S/C15H23NO/c1-15(2,3)16-9-10-17-12-14(16)11-13-7-5-4-6-8-13/h4-8,14H,9-12H2,1-3H3/t14-/m1/s1
InChIKeyJJCWPMJPXBHCEK-CQSZACIVSA-N
XLogP2.73
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.36
LogP ≤ 52.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3R)-3-benzyl-4-tert-butylmorpholine?
The IUPAC name of (3R)-3-benzyl-4-tert-butylmorpholine (CID 138601634) is (3R)-3-benzyl-4-tert-butylmorpholine.
What is the SMILES notation for (3R)-3-benzyl-4-tert-butylmorpholine?
The canonical SMILES for (3R)-3-benzyl-4-tert-butylmorpholine is CC(C)(C)N1CCOC[C@H]1Cc1ccccc1.
What is the InChIKey of (3R)-3-benzyl-4-tert-butylmorpholine?
The InChIKey is JJCWPMJPXBHCEK-CQSZACIVSA-N. The full InChI is InChI=1S/C15H23NO/c1-15(2,3)16-9-10-17-12-14(16)11-13-7-5-4-6-8-13/h4-8,14H,9-12H2,1-3H3/t14-/m1/s1.
What are the key properties of (3R)-3-benzyl-4-tert-butylmorpholine?
(3R)-3-benzyl-4-tert-butylmorpholine has a molecular weight of 233.36 g/mol, XLogP of 2.73, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-benzyl-4-tert-butylmorpholine is sourced from PubChem (CID 138601634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).