2-morpholin-4-yl-2-[4-(trifluoromethyl)phenyl]ethanamine

C13H17F3N2O — CID 3871090

IUPAC2-morpholin-4-yl-2-[4-(trifluoromethyl)phenyl]ethanamine
SMILESNCC(c1ccc(C(F)(F)F)cc1)N1CCOCC1
InChIInChI=1S/C13H17F3N2O/c14-13(15,16)11-3-1-10(2-4-11)12(9-17)18-5-7-19-8-6-18/h1-4,12H,5-9,17H2
InChIKeyJFZRWJJFLWSVCX-UHFFFAOYSA-N
MW274.29 g/mol
LogP2.04
Rot. Bonds3

About 2-morpholin-4-yl-2-[4-(trifluoromethyl)phenyl]ethanamine

2-morpholin-4-yl-2-[4-(trifluoromethyl)phenyl]ethanamine (PubChem CID 3871090) has the molecular formula C13H17F3N2O and a molecular weight of 274.29 g/mol. Its IUPAC name is 2-morpholin-4-yl-2-[4-(trifluoromethyl)phenyl]ethanamine.

Molecular Properties

Compound Name2-morpholin-4-yl-2-[4-(trifluoromethyl)phenyl]ethanamine
PubChem CID3871090
Molecular FormulaC13H17F3N2O
Molecular Weight274.29 g/mol
Exact Mass274.13
IUPAC Name2-morpholin-4-yl-2-[4-(trifluoromethyl)phenyl]ethanamine
SMILESNCC(c1ccc(C(F)(F)F)cc1)N1CCOCC1
InChIInChI=1S/C13H17F3N2O/c14-13(15,16)11-3-1-10(2-4-11)12(9-17)18-5-7-19-8-6-18/h1-4,12H,5-9,17H2
InChIKeyJFZRWJJFLWSVCX-UHFFFAOYSA-N
XLogP2.04
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.29
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-morpholin-4-yl-2-[4-(trifluoromethyl)phenyl]ethanamine?
The IUPAC name of 2-morpholin-4-yl-2-[4-(trifluoromethyl)phenyl]ethanamine (CID 3871090) is 2-morpholin-4-yl-2-[4-(trifluoromethyl)phenyl]ethanamine.
What is the SMILES notation for 2-morpholin-4-yl-2-[4-(trifluoromethyl)phenyl]ethanamine?
The canonical SMILES for 2-morpholin-4-yl-2-[4-(trifluoromethyl)phenyl]ethanamine is NCC(c1ccc(C(F)(F)F)cc1)N1CCOCC1.
What is the InChIKey of 2-morpholin-4-yl-2-[4-(trifluoromethyl)phenyl]ethanamine?
The InChIKey is JFZRWJJFLWSVCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17F3N2O/c14-13(15,16)11-3-1-10(2-4-11)12(9-17)18-5-7-19-8-6-18/h1-4,12H,5-9,17H2.
What are the key properties of 2-morpholin-4-yl-2-[4-(trifluoromethyl)phenyl]ethanamine?
2-morpholin-4-yl-2-[4-(trifluoromethyl)phenyl]ethanamine has a molecular weight of 274.29 g/mol, XLogP of 2.04, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-morpholin-4-yl-2-[4-(trifluoromethyl)phenyl]ethanamine is sourced from PubChem (CID 3871090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).