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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(CCC)NC1=C(C(=CC=C1)Cl)C

Isomeric SMILES

CCCC(CCC)NC1=C(C(=CC=C1)Cl)C

InChI

InChI=1S/C14H22ClN/c1-4-7-12(8-5-2)16-14-10-6-9-13(15)11(14)3/h6,9-10,12,16H,4-5,7-8H2,1-3H3