2-(3-ethylmorpholin-4-yl)-N-(2,2,2-trifluoroethyl)propan-1-amine

C11H21F3N2O — CID 62570658

IUPAC2-(3-ethylmorpholin-4-yl)-N-(2,2,2-trifluoroethyl)propan-1-amine
SMILESCCC1COCCN1C(C)CNCC(F)(F)F
InChIInChI=1S/C11H21F3N2O/c1-3-10-7-17-5-4-16(10)9(2)6-15-8-11(12,13)14/h9-10,15H,3-8H2,1-2H3
InChIKeyXHBNZAIERYAXNC-UHFFFAOYSA-N
MW254.30 g/mol
LogP1.64
Rot. Bonds5

About 2-(3-ethylmorpholin-4-yl)-N-(2,2,2-trifluoroethyl)propan-1-amine

2-(3-ethylmorpholin-4-yl)-N-(2,2,2-trifluoroethyl)propan-1-amine (PubChem CID 62570658) has the molecular formula C11H21F3N2O and a molecular weight of 254.30 g/mol. Its IUPAC name is 2-(3-ethylmorpholin-4-yl)-N-(2,2,2-trifluoroethyl)propan-1-amine.

Molecular Properties

Compound Name2-(3-ethylmorpholin-4-yl)-N-(2,2,2-trifluoroethyl)propan-1-amine
PubChem CID62570658
Molecular FormulaC11H21F3N2O
Molecular Weight254.30 g/mol
Exact Mass254.16
IUPAC Name2-(3-ethylmorpholin-4-yl)-N-(2,2,2-trifluoroethyl)propan-1-amine
SMILESCCC1COCCN1C(C)CNCC(F)(F)F
InChIInChI=1S/C11H21F3N2O/c1-3-10-7-17-5-4-16(10)9(2)6-15-8-11(12,13)14/h9-10,15H,3-8H2,1-2H3
InChIKeyXHBNZAIERYAXNC-UHFFFAOYSA-N
XLogP1.64
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.30
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(3-ethylmorpholin-4-yl)-N-(2,2,2-trifluoroethyl)propan-1-amine?
The IUPAC name of 2-(3-ethylmorpholin-4-yl)-N-(2,2,2-trifluoroethyl)propan-1-amine (CID 62570658) is 2-(3-ethylmorpholin-4-yl)-N-(2,2,2-trifluoroethyl)propan-1-amine.
What is the SMILES notation for 2-(3-ethylmorpholin-4-yl)-N-(2,2,2-trifluoroethyl)propan-1-amine?
The canonical SMILES for 2-(3-ethylmorpholin-4-yl)-N-(2,2,2-trifluoroethyl)propan-1-amine is CCC1COCCN1C(C)CNCC(F)(F)F.
What is the InChIKey of 2-(3-ethylmorpholin-4-yl)-N-(2,2,2-trifluoroethyl)propan-1-amine?
The InChIKey is XHBNZAIERYAXNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21F3N2O/c1-3-10-7-17-5-4-16(10)9(2)6-15-8-11(12,13)14/h9-10,15H,3-8H2,1-2H3.
What are the key properties of 2-(3-ethylmorpholin-4-yl)-N-(2,2,2-trifluoroethyl)propan-1-amine?
2-(3-ethylmorpholin-4-yl)-N-(2,2,2-trifluoroethyl)propan-1-amine has a molecular weight of 254.30 g/mol, XLogP of 1.64, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-ethylmorpholin-4-yl)-N-(2,2,2-trifluoroethyl)propan-1-amine is sourced from PubChem (CID 62570658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).