3-chloranyl-N-heptan-2-yl-4-methyl-aniline

Systemtic Name: 3-chloranyl-N-heptan-2-yl-4-methyl-aniline Openeye Name: 3-chloro-4-methyl-N-(1-methylhexyl)aniline CAS Name: 3-chloro-N-heptan-2-yl-4-methylaniline IUPAC Name: 3-chloro-N-heptan-2-yl-4-methylaniline Traditional Name: (3-chloro-4-methyl-phenyl)-(1-methylhexyl)amine Formula: C14H22ClN MolecularWeight: 239.78418

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(C)NC1=CC(=C(C=C1)C)Cl

Isomeric SMILES

CCCCCC(C)NC1=CC(=C(C=C1)C)Cl

InChI

InChI=1S/C14H22ClN/c1-4-5-6-7-12(3)16-13-9-8-11(2)14(15)10-13/h8-10,12,16H,4-7H2,1-3H3