2-(3-Fluorophenyl)-2-morpholinoethylamine - CAS 933739-52-7

Catalog:	BB040883
Product Name:	2-(3-Fluorophenyl)-2-morpholinoethylamine
CAS:	933739-52-7
Synonyms:	2-(3-fluorophenyl)-2-(4-morpholinyl)ethanamine; 2-(3-fluorophenyl)-2-morpholin-4-ylethanamine

Technical Data

Patents

Computed Properties

IUPAC Name:	2-(3-fluorophenyl)-2-morpholin-4-ylethanamine
Description:	2-(3-Fluorophenyl)-2-morpholinoethylamine (CAS# 933739-52-7) is a useful research chemical.
Molecular Weight:	224.27
Molecular Formula:	C12H17FN2O
Canonical SMILES:	C1COCCN1C(CN)C2=CC(=CC=C2)F
InChI:	InChI=1S/C12H17FN2O/c13-11-3-1-2-10(8-11)12(9-14)15-4-6-16-7-5-15/h1-3,8,12H,4-7,9,14H2
InChI Key:	HQHPLUZEYNYOLB-UHFFFAOYSA-N

Publication Number	Title	Priority Date
AU-2013356850-B2	Indole carboxamide derivatives as P2X7 receptor antagonists	20121212
EP-2931717-A1	Indole carboxamide derivatives as p2x7 receptor antagonists	20121212
EP-2931717-B1	Indole carboxamide derivatives as p2x7 receptor antagonists	20121212
US-2015322008-A1	Indole carboxamide derivatives as p2x7 receptor antagonist	20121212
US-9718774-B2	Indole carboxamide derivatives as P2X7 receptor antagonist	20121212

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Related Functional Groups

Amines and Anilines

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Complexity:	209
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	224.13249133
Formal Charge:	0
Heavy Atom Count:	16
Hydrogen Bond Acceptor Count:	4
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	224.13249133
Rotatable Bond Count:	3
Topological Polar Surface Area:	38.5
Undefined Atom Stereocenter Count:	1
Undefined Bond Stereocenter Count:	0
XLogP3:	0.6