ethyl 2-(methylamino)-2-[4-(2,3,6-trifluorophenyl)morpholin-2-yl]acetate

C15H19F3N2O3 — CID 57253948

IUPACethyl 2-(methylamino)-2-[4-(2,3,6-trifluorophenyl)morpholin-2-yl]acetate
SMILESCCOC(=O)C(NC)C1CN(c2c(F)ccc(F)c2F)CCO1
InChIInChI=1S/C15H19F3N2O3/c1-3-22-15(21)13(19-2)11-8-20(6-7-23-11)14-10(17)5-4-9(16)12(14)18/h4-5,11,13,19H,3,6-8H2,1-2H3
InChIKeyLEBSOKAWWKJRQJ-UHFFFAOYSA-N
MW332.32 g/mol
LogP1.46
Rot. Bonds5

About ethyl 2-(methylamino)-2-[4-(2,3,6-trifluorophenyl)morpholin-2-yl]acetate

ethyl 2-(methylamino)-2-[4-(2,3,6-trifluorophenyl)morpholin-2-yl]acetate (PubChem CID 57253948) has the molecular formula C15H19F3N2O3 and a molecular weight of 332.32 g/mol. Its IUPAC name is ethyl 2-(methylamino)-2-[4-(2,3,6-trifluorophenyl)morpholin-2-yl]acetate.

Molecular Properties

Compound Nameethyl 2-(methylamino)-2-[4-(2,3,6-trifluorophenyl)morpholin-2-yl]acetate
PubChem CID57253948
Molecular FormulaC15H19F3N2O3
Molecular Weight332.32 g/mol
Exact Mass332.13
IUPAC Nameethyl 2-(methylamino)-2-[4-(2,3,6-trifluorophenyl)morpholin-2-yl]acetate
SMILESCCOC(=O)C(NC)C1CN(c2c(F)ccc(F)c2F)CCO1
InChIInChI=1S/C15H19F3N2O3/c1-3-22-15(21)13(19-2)11-8-20(6-7-23-11)14-10(17)5-4-9(16)12(14)18/h4-5,11,13,19H,3,6-8H2,1-2H3
InChIKeyLEBSOKAWWKJRQJ-UHFFFAOYSA-N
XLogP1.46
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.32
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

[[2-[4-[2-[2-ethoxy-1-(methylamino)-2-oxoethyl]morpholin-4-yl]-2,3,5-trifluorobenzoyl]cyclopropyl]amino] 2-methylidenebutanoate
CID 57214213
(2,6-difluoro-3-methylphenyl)-(4-propylmorpholin-2-yl)methanamine
CID 82822230
[4-(2,3-difluoro-6-nitrophenyl)morpholin-2-yl]methanol
CID 81219753
2-(2,3-difluorophenyl)-N-methyl-1-(4-propan-2-ylmorpholin-2-yl)ethanamine
CID 79663311
ethyl 1-(2,3,4-trifluorophenyl)piperidine-3-carboxylate
CID 82537647
ethyl 3-amino-2-(2-ethylmorpholin-4-yl)benzoate
CID 115934170
ethyl 4-[[2-[(2R)-2-propan-2-ylmorpholin-4-yl]acetyl]amino]benzoate
CID 97260580
ethyl 4-(3,4-difluorophenoxy)-2-(methylamino)butanoate
CID 63035662
(4-propan-2-ylmorpholin-2-yl)-(2,3,4-trifluorophenyl)methanol
CID 79663304
ethyl 2-(2,3,4-trifluorophenyl)propanoate
CID 117047580
ethyl 2-[(2R)-2-[(4-fluorophenoxy)methyl]morpholin-4-yl]acetate
CID 99979464
ethyl 2-[[(2S)-2-(4-chlorophenyl)morpholine-4-carbonyl]amino]acetate
CID 94610167

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(methylamino)-2-[4-(2,3,6-trifluorophenyl)morpholin-2-yl]acetate?
The IUPAC name of ethyl 2-(methylamino)-2-[4-(2,3,6-trifluorophenyl)morpholin-2-yl]acetate (CID 57253948) is ethyl 2-(methylamino)-2-[4-(2,3,6-trifluorophenyl)morpholin-2-yl]acetate.
What is the SMILES notation for ethyl 2-(methylamino)-2-[4-(2,3,6-trifluorophenyl)morpholin-2-yl]acetate?
The canonical SMILES for ethyl 2-(methylamino)-2-[4-(2,3,6-trifluorophenyl)morpholin-2-yl]acetate is CCOC(=O)C(NC)C1CN(c2c(F)ccc(F)c2F)CCO1.
What is the InChIKey of ethyl 2-(methylamino)-2-[4-(2,3,6-trifluorophenyl)morpholin-2-yl]acetate?
The InChIKey is LEBSOKAWWKJRQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19F3N2O3/c1-3-22-15(21)13(19-2)11-8-20(6-7-23-11)14-10(17)5-4-9(16)12(14)18/h4-5,11,13,19H,3,6-8H2,1-2H3.
What are the key properties of ethyl 2-(methylamino)-2-[4-(2,3,6-trifluorophenyl)morpholin-2-yl]acetate?
ethyl 2-(methylamino)-2-[4-(2,3,6-trifluorophenyl)morpholin-2-yl]acetate has a molecular weight of 332.32 g/mol, XLogP of 1.46, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(methylamino)-2-[4-(2,3,6-trifluorophenyl)morpholin-2-yl]acetate is sourced from PubChem (CID 57253948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).