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2-[4-(4-Fluorophenyl)phenyl]ethylamine hydrochloride

2-[4-(4-Fluorophenyl)phenyl]ethylamine hydrochloride - CAS 1189922-22-2

Catalog:	BB065121
Product Name:	2-[4-(4-Fluorophenyl)phenyl]ethylamine hydrochloride
CAS:	1189922-22-2
Synonyms:	4'-Fluoro-1,1'-biphenyl]-4-ethanamine Hydrochloride

Technical Data

Computed Properties

IUPAC Name:	2-[4-(4-fluorophenyl)phenyl]ethanaminehydrochloride
Description:	2-[4-(4-Fluorophenyl)phenyl]ethylamine, HCl acts as reagent in the identification and optimization of a new series of anti-tubercular quinazolines.
Molecular Weight:	215.11 + 36.46
Molecular Formula:	C14H14FN·HCl
Canonical SMILES:	C1=CC(=CC=C1CCN)C2=CC=C(C=C2)F.Cl
InChI:	InChI=1S/C14H14FN.ClH/c15-14-7-5-13(6-8-14)12-3-1-11(2-4-12)9-10-16/h1-8H,9-10,16H21H
InChI Key:	FQLJVLOQYYHIIV-UHFFFAOYSA-N
References:	Couturier, C., et al. Bioorg. Med. Chem. Lett., 26, 5290 (2016).

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Complexity:	191
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	2
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	251.0877053
Formal Charge:	0
Heavy Atom Count:	17
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	2
Isotope Atom Count:	0
Monoisotopic Mass:	251.0877053
Rotatable Bond Count:	3
Topological Polar Surface Area:	26Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0