2,4-dimorpholin-4-ylaniline

C14H21N3O2 — CID 796226

IUPAC2,4-dimorpholin-4-ylaniline
SMILESNc1ccc(N2CCOCC2)cc1N1CCOCC1
InChIInChI=1S/C14H21N3O2/c15-13-2-1-12(16-3-7-18-8-4-16)11-14(13)17-5-9-19-10-6-17/h1-2,11H,3-10,15H2
InChIKeyVEMKXLKXBFHADY-UHFFFAOYSA-N
MW263.34 g/mol
LogP0.94
Rot. Bonds2

About 2,4-dimorpholin-4-ylaniline

2,4-dimorpholin-4-ylaniline (PubChem CID 796226) has the molecular formula C14H21N3O2 and a molecular weight of 263.34 g/mol. Its IUPAC name is 2,4-dimorpholin-4-ylaniline.

Molecular Properties

Compound Name2,4-dimorpholin-4-ylaniline
PubChem CID796226
Molecular FormulaC14H21N3O2
Molecular Weight263.34 g/mol
Exact Mass263.16
IUPAC Name2,4-dimorpholin-4-ylaniline
SMILESNc1ccc(N2CCOCC2)cc1N1CCOCC1
InChIInChI=1S/C14H21N3O2/c15-13-2-1-12(16-3-7-18-8-4-16)11-14(13)17-5-9-19-10-6-17/h1-2,11H,3-10,15H2
InChIKeyVEMKXLKXBFHADY-UHFFFAOYSA-N
XLogP0.94
TPSA50.96 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 50.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2,4-dimorpholin-4-ylaniline?
The IUPAC name of 2,4-dimorpholin-4-ylaniline (CID 796226) is 2,4-dimorpholin-4-ylaniline.
What is the SMILES notation for 2,4-dimorpholin-4-ylaniline?
The canonical SMILES for 2,4-dimorpholin-4-ylaniline is Nc1ccc(N2CCOCC2)cc1N1CCOCC1.
What is the InChIKey of 2,4-dimorpholin-4-ylaniline?
The InChIKey is VEMKXLKXBFHADY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O2/c15-13-2-1-12(16-3-7-18-8-4-16)11-14(13)17-5-9-19-10-6-17/h1-2,11H,3-10,15H2.
What are the key properties of 2,4-dimorpholin-4-ylaniline?
2,4-dimorpholin-4-ylaniline has a molecular weight of 263.34 g/mol, XLogP of 0.94, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimorpholin-4-ylaniline is sourced from PubChem (CID 796226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).