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

C13H17F3N2O2 — CID 21049550

IUPAC3-(2-morpholin-4-ylethoxy)-5-(trifluoromethyl)aniline
SMILESNc1cc(OCCN2CCOCC2)cc(C(F)(F)F)c1
InChIInChI=1S/C13H17F3N2O2/c14-13(15,16)10-7-11(17)9-12(8-10)20-6-3-18-1-4-19-5-2-18/h7-9H,1-6,17H2
InChIKeyGJDYIQDNLUITSX-UHFFFAOYSA-N
MW290.28 g/mol
LogP2.00
Rot. Bonds4

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

3-(2-morpholin-4-ylethoxy)-5-(trifluoromethyl)aniline (PubChem CID 21049550) has the molecular formula C13H17F3N2O2 and a molecular weight of 290.28 g/mol. Its IUPAC name is 3-(2-morpholin-4-ylethoxy)-5-(trifluoromethyl)aniline.

Molecular Properties

Compound Name3-(2-morpholin-4-ylethoxy)-5-(trifluoromethyl)aniline
PubChem CID21049550
Molecular FormulaC13H17F3N2O2
Molecular Weight290.28 g/mol
Exact Mass290.12
IUPAC Name3-(2-morpholin-4-ylethoxy)-5-(trifluoromethyl)aniline
SMILESNc1cc(OCCN2CCOCC2)cc(C(F)(F)F)c1
InChIInChI=1S/C13H17F3N2O2/c14-13(15,16)10-7-11(17)9-12(8-10)20-6-3-18-1-4-19-5-2-18/h7-9H,1-6,17H2
InChIKeyGJDYIQDNLUITSX-UHFFFAOYSA-N
XLogP2.00
TPSA47.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.28
LogP ≤ 52.00
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-(2-morpholin-4-ylethoxy)-5-(trifluoromethyl)aniline?
The IUPAC name of 3-(2-morpholin-4-ylethoxy)-5-(trifluoromethyl)aniline (CID 21049550) is 3-(2-morpholin-4-ylethoxy)-5-(trifluoromethyl)aniline.
What is the SMILES notation for 3-(2-morpholin-4-ylethoxy)-5-(trifluoromethyl)aniline?
The canonical SMILES for 3-(2-morpholin-4-ylethoxy)-5-(trifluoromethyl)aniline is Nc1cc(OCCN2CCOCC2)cc(C(F)(F)F)c1.
What is the InChIKey of 3-(2-morpholin-4-ylethoxy)-5-(trifluoromethyl)aniline?
The InChIKey is GJDYIQDNLUITSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17F3N2O2/c14-13(15,16)10-7-11(17)9-12(8-10)20-6-3-18-1-4-19-5-2-18/h7-9H,1-6,17H2.
What are the key properties of 3-(2-morpholin-4-ylethoxy)-5-(trifluoromethyl)aniline?
3-(2-morpholin-4-ylethoxy)-5-(trifluoromethyl)aniline has a molecular weight of 290.28 g/mol, XLogP of 2.00, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-morpholin-4-ylethoxy)-5-(trifluoromethyl)aniline is sourced from PubChem (CID 21049550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).