2-(5-ethyl-2-methylmorpholin-4-yl)-3-methylaniline

C14H22N2O — CID 113333692

IUPAC2-(5-ethyl-2-methylmorpholin-4-yl)-3-methylaniline
SMILESCCC1COC(C)CN1c1c(C)cccc1N
InChIInChI=1S/C14H22N2O/c1-4-12-9-17-11(3)8-16(12)14-10(2)6-5-7-13(14)15/h5-7,11-12H,4,8-9,15H2,1-3H3
InChIKeyNXXSOECETGXOCS-UHFFFAOYSA-N
MW234.34 g/mol
LogP2.58
Rot. Bonds2

About 2-(5-ethyl-2-methylmorpholin-4-yl)-3-methylaniline

2-(5-ethyl-2-methylmorpholin-4-yl)-3-methylaniline (PubChem CID 113333692) has the molecular formula C14H22N2O and a molecular weight of 234.34 g/mol. Its IUPAC name is 2-(5-ethyl-2-methylmorpholin-4-yl)-3-methylaniline.

Molecular Properties

Compound Name2-(5-ethyl-2-methylmorpholin-4-yl)-3-methylaniline
PubChem CID113333692
Molecular FormulaC14H22N2O
Molecular Weight234.34 g/mol
Exact Mass234.17
IUPAC Name2-(5-ethyl-2-methylmorpholin-4-yl)-3-methylaniline
SMILESCCC1COC(C)CN1c1c(C)cccc1N
InChIInChI=1S/C14H22N2O/c1-4-12-9-17-11(3)8-16(12)14-10(2)6-5-7-13(14)15/h5-7,11-12H,4,8-9,15H2,1-3H3
InChIKeyNXXSOECETGXOCS-UHFFFAOYSA-N
XLogP2.58
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.34
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(5-ethyl-2-methylmorpholin-4-yl)-3-methylaniline?
The IUPAC name of 2-(5-ethyl-2-methylmorpholin-4-yl)-3-methylaniline (CID 113333692) is 2-(5-ethyl-2-methylmorpholin-4-yl)-3-methylaniline.
What is the SMILES notation for 2-(5-ethyl-2-methylmorpholin-4-yl)-3-methylaniline?
The canonical SMILES for 2-(5-ethyl-2-methylmorpholin-4-yl)-3-methylaniline is CCC1COC(C)CN1c1c(C)cccc1N.
What is the InChIKey of 2-(5-ethyl-2-methylmorpholin-4-yl)-3-methylaniline?
The InChIKey is NXXSOECETGXOCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O/c1-4-12-9-17-11(3)8-16(12)14-10(2)6-5-7-13(14)15/h5-7,11-12H,4,8-9,15H2,1-3H3.
What are the key properties of 2-(5-ethyl-2-methylmorpholin-4-yl)-3-methylaniline?
2-(5-ethyl-2-methylmorpholin-4-yl)-3-methylaniline has a molecular weight of 234.34 g/mol, XLogP of 2.58, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-ethyl-2-methylmorpholin-4-yl)-3-methylaniline is sourced from PubChem (CID 113333692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).