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2-(4-Fluorophenyl)-2-(1-pyrrolidinyl)ethylamine

2-(4-Fluorophenyl)-2-(1-pyrrolidinyl)ethylamine - CAS 876710-64-4

Catalog:	BB038579
Product Name:	2-(4-Fluorophenyl)-2-(1-pyrrolidinyl)ethylamine
CAS:	876710-64-4
Synonyms:	2-(4-fluorophenyl)-2-(1-pyrrolidinyl)ethanamine; 2-(4-fluorophenyl)-2-pyrrolidin-1-ylethanamine

Technical Data

Patents

Computed Properties

IUPAC Name:	2-(4-fluorophenyl)-2-pyrrolidin-1-ylethanamine
Description:	2-(4-Fluorophenyl)-2-(1-pyrrolidinyl)ethylamine (CAS# 876710-64-4) is a useful research chemical.
Molecular Weight:	208.28
Molecular Formula:	C12H17FN2
Canonical SMILES:	C1CCN(C1)C(CN)C2=CC=C(C=C2)F
InChI:	InChI=1S/C12H17FN2/c13-11-5-3-10(4-6-11)12(9-14)15-7-1-2-8-15/h3-6,12H,1-2,7-9,14H2
InChI Key:	FFRVQTGCNAGNJO-UHFFFAOYSA-N
Boiling Point:	287.7 °C at 760 mmHg
Density:	1.136 g/cm³
LogP:	2.55950

Publication Number	Title	Priority Date
CA-2657601-A1	Substituted indazoles	20060714
EP-2044031-A1	2-(heteroaryl) alkyl indazole 6-phenyl and thienyl methyl amide as thrombin inhibitors	20060714
JP-2009543818-A	Substituted indazoles	20060714
US-2010105663-A1	2-(heteroaryl) alkyl indazole 6-phenyl and thienyl methyl amide as thrombin inhibitors	20060714
WO-2008006479-A1	2-(heteroaryl) alkyl indazole 6-phenyl and thienyl methyl amide as thrombin inhibitors	20060714

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Complexity:	184
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	208.13757671
Formal Charge:	0
Heavy Atom Count:	15
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	208.13757671
Rotatable Bond Count:	3
Topological Polar Surface Area:	29.3
Undefined Atom Stereocenter Count:	1
Undefined Bond Stereocenter Count:	0
XLogP3:	1.4