6-(4-ethylphenyl)-2-methyl-2-(2-methylpropyl)morpholine

C17H27NO — CID 66181122

IUPAC6-(4-ethylphenyl)-2-methyl-2-(2-methylpropyl)morpholine
SMILESCCc1ccc(C2CNCC(C)(CC(C)C)O2)cc1
InChIInChI=1S/C17H27NO/c1-5-14-6-8-15(9-7-14)16-11-18-12-17(4,19-16)10-13(2)3/h6-9,13,16,18H,5,10-12H2,1-4H3
InChIKeyCWNGEIMTGILBJY-UHFFFAOYSA-N
MW261.41 g/mol
LogP3.71
Rot. Bonds4

About 6-(4-ethylphenyl)-2-methyl-2-(2-methylpropyl)morpholine

6-(4-ethylphenyl)-2-methyl-2-(2-methylpropyl)morpholine (PubChem CID 66181122) has the molecular formula C17H27NO and a molecular weight of 261.41 g/mol. Its IUPAC name is 6-(4-ethylphenyl)-2-methyl-2-(2-methylpropyl)morpholine.

Molecular Properties

Compound Name6-(4-ethylphenyl)-2-methyl-2-(2-methylpropyl)morpholine
PubChem CID66181122
Molecular FormulaC17H27NO
Molecular Weight261.41 g/mol
Exact Mass261.21
IUPAC Name6-(4-ethylphenyl)-2-methyl-2-(2-methylpropyl)morpholine
SMILESCCc1ccc(C2CNCC(C)(CC(C)C)O2)cc1
InChIInChI=1S/C17H27NO/c1-5-14-6-8-15(9-7-14)16-11-18-12-17(4,19-16)10-13(2)3/h6-9,13,16,18H,5,10-12H2,1-4H3
InChIKeyCWNGEIMTGILBJY-UHFFFAOYSA-N
XLogP3.71
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.41
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-(4-ethylphenyl)-2-methyl-2-(2-methylpropyl)morpholine?
The IUPAC name of 6-(4-ethylphenyl)-2-methyl-2-(2-methylpropyl)morpholine (CID 66181122) is 6-(4-ethylphenyl)-2-methyl-2-(2-methylpropyl)morpholine.
What is the SMILES notation for 6-(4-ethylphenyl)-2-methyl-2-(2-methylpropyl)morpholine?
The canonical SMILES for 6-(4-ethylphenyl)-2-methyl-2-(2-methylpropyl)morpholine is CCc1ccc(C2CNCC(C)(CC(C)C)O2)cc1.
What is the InChIKey of 6-(4-ethylphenyl)-2-methyl-2-(2-methylpropyl)morpholine?
The InChIKey is CWNGEIMTGILBJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO/c1-5-14-6-8-15(9-7-14)16-11-18-12-17(4,19-16)10-13(2)3/h6-9,13,16,18H,5,10-12H2,1-4H3.
What are the key properties of 6-(4-ethylphenyl)-2-methyl-2-(2-methylpropyl)morpholine?
6-(4-ethylphenyl)-2-methyl-2-(2-methylpropyl)morpholine has a molecular weight of 261.41 g/mol, XLogP of 3.71, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-ethylphenyl)-2-methyl-2-(2-methylpropyl)morpholine is sourced from PubChem (CID 66181122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).