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Specification
The molecular formula of 2-(4-Methylphenoxy)benzylamine hydrochloride is C14H16ClNO.
The molecular weight of 2-(4-Methylphenoxy)benzylamine hydrochloride is 249.73 g/mol.
The IUPAC name of 2-(4-Methylphenoxy)benzylamine hydrochloride is [2-(4-methylphenoxy)phenyl]methanamine;hydrochloride.
The InChI of 2-(4-Methylphenoxy)benzylamine hydrochloride is InChI=1S/C14H15NO.ClH/c1-11-6-8-13(9-7-11)16-14-5-3-2-4-12(14)10-15;/h2-9H,10,15H2,1H3;1H.
The InChIKey of 2-(4-Methylphenoxy)benzylamine hydrochloride is XMVXIOJPNLJZRD-UHFFFAOYSA-N.
The canonical SMILES of 2-(4-Methylphenoxy)benzylamine hydrochloride is CC1=CC=C(C=C1)OC2=CC=CC=C2CN.Cl.
The hydrogen bond donor count of 2-(4-Methylphenoxy)benzylamine hydrochloride is 2.
The hydrogen bond acceptor count of 2-(4-Methylphenoxy)benzylamine hydrochloride is 2.
The rotatable bond count of 2-(4-Methylphenoxy)benzylamine hydrochloride is 3.
Yes, 2-(4-Methylphenoxy)benzylamine hydrochloride is a canonicalized compound.