N-[5-(4-chloranyl-2-phenyl-phenoxy)pentyl]adamantan-2-amine hydrochloride

Systemtic Name: N-[5-(4-chloranyl-2-phenyl-phenoxy)pentyl]adamantan-2-amine hydrochloride Openeye Name: N-[5-(4-chloro-2-phenyl-phenoxy)pentyl]adamantan-2-amine hydrochloride CAS Name: N-[5-(4-chloro-2-phenylphenoxy)pentyl]-2-adamantanamine hydrochloride IUPAC Name: N-[5-(4-chloro-2-phenylphenoxy)pentyl]adamantan-2-amine hydrochloride Traditional Name: 2-adamantyl-[5-(4-chloro-2-phenyl-phenoxy)pentyl]amine hydrochloride Formula: C27H35Cl2NO MolecularWeight: 460.4789

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)C3NCCCCCOC4=C(C=C(C=C4)Cl)C5=CC=CC=C5.Cl

Isomeric SMILES

C1C2CC3CC1CC(C2)C3NCCCCCOC4=C(C=C(C=C4)Cl)C5=CC=CC=C5.Cl

InChI

InChI=1S/C27H34ClNO.ClH/c28-24-9-10-26(25(18-24)21-7-3-1-4-8-21)30-12-6-2-5-11-29-27-22-14-19-13-20(16-22)17-23(27)15-19;/h1,3-4,7-10,18-20,22-23,27,29H,2,5-6,11-17H2;1H