3-(3,5-Difluorophenyl)-1-propylamine - CAS 105219-40-7

Catalog:	BB001581
Product Name:	3-(3,5-Difluorophenyl)-1-propylamine
CAS:	105219-40-7
Synonyms:	3-(3,5-difluorophenyl)-1-propanamine; 3-(3,5-difluorophenyl)propan-1-amine

Technical Data

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Computed Properties

IUPAC Name:	3-(3,5-difluorophenyl)propan-1-amine
Description:	3-(3,5-Difluorophenyl)-1-propylamine (CAS# 105219-40-7) is a useful research chemical.
Molecular Weight:	171.19
Molecular Formula:	C9H11F2N
Canonical SMILES:	C1=C(C=C(C=C1F)F)CCCN
InChI:	InChI=1S/C9H11F2N/c10-8-4-7(2-1-3-12)5-9(11)6-8/h4-6H,1-3,12H2
InChI Key:	RZUIWLNDDJBKKL-UHFFFAOYSA-N
LogP:	2.55640

Publication Number	Title	Priority Date
TW-201738203-A	Tertiary guanamine and method of use	20160406
US-2019119200-A1	Tertiary amides and method of use	20160406
WO-2017177004-A1	Tertiary amides and method of use	20160406
EP-1530562-A1	Optically active 1-(fluoro-,trifluoromethyl-or trifluoromethoxy-substituted phenyl)alkylamine n-monoalkyl derivatives and process for producing same	20020906
WO-2004022521-A1	Optically active 1-(fluoro-,trifluoromethyl-or trifluoromethoxy-substituted phenyl)alkylamine n-monoalkyl derivatives and process for producing same	20020906

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Complexity:	120
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	171.08595568
Formal Charge:	0
Heavy Atom Count:	12
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	171.08595568
Rotatable Bond Count:	3
Topological Polar Surface Area:	26
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.8