N-methyl-3-phenyl-3-[4-(trifluoromethyl)phenoxy]-1-propanamine hydrochloride (1:1) (CHEBI:145458)

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ChEBI Name	N-methyl-3-phenyl-3-[4-(trifluoromethyl)phenoxy]-1-propanamine hydrochloride (1:1)

ChEBI ID	CHEBI:145458

Stars	This entity has been manually annotated by a third party.

Submitter	Mark Williams

Supplier Information

Download	Molfile XML SDF

Formula

C17H18F3NO.ClH

Net Charge

Average Mass

345.790

Monoisotopic Mass

345.11073

InChI

InChI=1S/C17H18F3NO.ClH/c1-21-12-11-16(13-5-3-2-4-6-13)22-15-9-7-14(8-10-15)17(18,19)20;/h2-10,16,21H,11-12H2,1H3;1H

InChIKey

GIYXAJPCNFJEHY-UHFFFAOYSA-N

SMILES

Cl.FC(F)(F)C1=CC=C(OC(C2=CC=CC=C2)CCNC)C=C1

Roles Classification
Chemical Role(s):	Bronsted base A molecular entity capable of accepting a hydron from a donor (Bronsted acid). (via organic amino compound )

ChEBI Ontology
Outgoing	N-methyl-3-phenyl-3-[4-(trifluoromethyl)phenoxy]-1-propanamine hydrochloride (1:1) (CHEBI:145458) is a N-methyl-3-phenyl-3-[4-(trifluoromethyl)phenoxy]propan-1-amine (CHEBI:86990) N-methyl-3-phenyl-3-[4-(trifluoromethyl)phenoxy]-1-propanamine hydrochloride (1:1) (CHEBI:145458) is a hydrochloride (CHEBI:36807)

Last Modified

21 November 2019