3-(difluoromethoxy)-5-(2-morpholin-4-ylethoxy)aniline

C13H18F2N2O3 — CID 164584285

IUPAC3-(difluoromethoxy)-5-(2-morpholin-4-ylethoxy)aniline
SMILESNc1cc(OCCN2CCOCC2)cc(OC(F)F)c1
InChIInChI=1S/C13H18F2N2O3/c14-13(15)20-12-8-10(16)7-11(9-12)19-6-3-17-1-4-18-5-2-17/h7-9,13H,1-6,16H2
InChIKeyZEEWQBVFSRNPJY-UHFFFAOYSA-N
MW288.29 g/mol
LogP1.58
Rot. Bonds6

About 3-(difluoromethoxy)-5-(2-morpholin-4-ylethoxy)aniline

3-(difluoromethoxy)-5-(2-morpholin-4-ylethoxy)aniline (PubChem CID 164584285) has the molecular formula C13H18F2N2O3 and a molecular weight of 288.29 g/mol. Its IUPAC name is 3-(difluoromethoxy)-5-(2-morpholin-4-ylethoxy)aniline.

Molecular Properties

Compound Name3-(difluoromethoxy)-5-(2-morpholin-4-ylethoxy)aniline
PubChem CID164584285
Molecular FormulaC13H18F2N2O3
Molecular Weight288.29 g/mol
Exact Mass288.13
IUPAC Name3-(difluoromethoxy)-5-(2-morpholin-4-ylethoxy)aniline
SMILESNc1cc(OCCN2CCOCC2)cc(OC(F)F)c1
InChIInChI=1S/C13H18F2N2O3/c14-13(15)20-12-8-10(16)7-11(9-12)19-6-3-17-1-4-18-5-2-17/h7-9,13H,1-6,16H2
InChIKeyZEEWQBVFSRNPJY-UHFFFAOYSA-N
XLogP1.58
TPSA56.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.29
LogP ≤ 51.58
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 3-(difluoromethoxy)-5-(2-morpholin-4-ylethoxy)aniline?
The IUPAC name of 3-(difluoromethoxy)-5-(2-morpholin-4-ylethoxy)aniline (CID 164584285) is 3-(difluoromethoxy)-5-(2-morpholin-4-ylethoxy)aniline.
What is the SMILES notation for 3-(difluoromethoxy)-5-(2-morpholin-4-ylethoxy)aniline?
The canonical SMILES for 3-(difluoromethoxy)-5-(2-morpholin-4-ylethoxy)aniline is Nc1cc(OCCN2CCOCC2)cc(OC(F)F)c1.
What is the InChIKey of 3-(difluoromethoxy)-5-(2-morpholin-4-ylethoxy)aniline?
The InChIKey is ZEEWQBVFSRNPJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18F2N2O3/c14-13(15)20-12-8-10(16)7-11(9-12)19-6-3-17-1-4-18-5-2-17/h7-9,13H,1-6,16H2.
What are the key properties of 3-(difluoromethoxy)-5-(2-morpholin-4-ylethoxy)aniline?
3-(difluoromethoxy)-5-(2-morpholin-4-ylethoxy)aniline has a molecular weight of 288.29 g/mol, XLogP of 1.58, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(difluoromethoxy)-5-(2-morpholin-4-ylethoxy)aniline is sourced from PubChem (CID 164584285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).