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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Related Compounds

3-(Morpholin-4-yl)aniline
CID 847768
Benzenamine, 4-(4-morpholinyl)-
CID 75655
N-(3-Amino-phenyl)-2-morpholin-4-yl-acetamide
CID 1073123
(2,4-Dinitrophenyl)[2-(4-morpholinyl)ethyl]amine
CID 2853539
4-(4-Nitro-3-piperidin-1-ylphenyl)morpholine
CID 4373472
2-Morpholinoaniline
CID 735756
5-Morpholino-2-nitroaniline
CID 596725
4-(2-Nitro-5-piperidin-1-ylphenyl)morpholine
CID 2888807
2,4-Di(piperidin-1-yl)aniline
CID 655480
4-(2,4-Dinitrophenyl)morpholine
CID 221798
2-[4-(2-Amino-phenyl)-piperazin-1-yl]-ethanol
CID 6485408
N-[2-(morpholin-4-yl)ethyl]aniline
CID 2737013

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).