3-(5-ethyl-2-methylmorpholin-4-yl)-5-propan-2-yloxyaniline

C16H26N2O2 — CID 80731500

IUPAC3-(5-ethyl-2-methylmorpholin-4-yl)-5-propan-2-yloxyaniline
SMILESCCC1COC(C)CN1c1cc(N)cc(OC(C)C)c1
InChIInChI=1S/C16H26N2O2/c1-5-14-10-19-12(4)9-18(14)15-6-13(17)7-16(8-15)20-11(2)3/h6-8,11-12,14H,5,9-10,17H2,1-4H3
InChIKeyMVLSCINUGHFYPT-UHFFFAOYSA-N
MW278.40 g/mol
LogP3.06
Rot. Bonds4

About 3-(5-ethyl-2-methylmorpholin-4-yl)-5-propan-2-yloxyaniline

3-(5-ethyl-2-methylmorpholin-4-yl)-5-propan-2-yloxyaniline (PubChem CID 80731500) has the molecular formula C16H26N2O2 and a molecular weight of 278.40 g/mol. Its IUPAC name is 3-(5-ethyl-2-methylmorpholin-4-yl)-5-propan-2-yloxyaniline.

Molecular Properties

Compound Name3-(5-ethyl-2-methylmorpholin-4-yl)-5-propan-2-yloxyaniline
PubChem CID80731500
Molecular FormulaC16H26N2O2
Molecular Weight278.40 g/mol
Exact Mass278.20
IUPAC Name3-(5-ethyl-2-methylmorpholin-4-yl)-5-propan-2-yloxyaniline
SMILESCCC1COC(C)CN1c1cc(N)cc(OC(C)C)c1
InChIInChI=1S/C16H26N2O2/c1-5-14-10-19-12(4)9-18(14)15-6-13(17)7-16(8-15)20-11(2)3/h6-8,11-12,14H,5,9-10,17H2,1-4H3
InChIKeyMVLSCINUGHFYPT-UHFFFAOYSA-N
XLogP3.06
TPSA47.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.40
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-(5-ethyl-2-methylmorpholin-4-yl)-5-propan-2-yloxyaniline?
The IUPAC name of 3-(5-ethyl-2-methylmorpholin-4-yl)-5-propan-2-yloxyaniline (CID 80731500) is 3-(5-ethyl-2-methylmorpholin-4-yl)-5-propan-2-yloxyaniline.
What is the SMILES notation for 3-(5-ethyl-2-methylmorpholin-4-yl)-5-propan-2-yloxyaniline?
The canonical SMILES for 3-(5-ethyl-2-methylmorpholin-4-yl)-5-propan-2-yloxyaniline is CCC1COC(C)CN1c1cc(N)cc(OC(C)C)c1.
What is the InChIKey of 3-(5-ethyl-2-methylmorpholin-4-yl)-5-propan-2-yloxyaniline?
The InChIKey is MVLSCINUGHFYPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O2/c1-5-14-10-19-12(4)9-18(14)15-6-13(17)7-16(8-15)20-11(2)3/h6-8,11-12,14H,5,9-10,17H2,1-4H3.
What are the key properties of 3-(5-ethyl-2-methylmorpholin-4-yl)-5-propan-2-yloxyaniline?
3-(5-ethyl-2-methylmorpholin-4-yl)-5-propan-2-yloxyaniline has a molecular weight of 278.40 g/mol, XLogP of 3.06, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-ethyl-2-methylmorpholin-4-yl)-5-propan-2-yloxyaniline is sourced from PubChem (CID 80731500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).