4-pentylbenzaldehyde; 2-phenylethanamine

Systemtic Name: 4-pentylbenzaldehyde; 2-phenylethanamine Openeye Name: 4-pentylbenzaldehyde; 2-phenylethanamine CAS Name: 4-pentylbenzaldehyde; 2-phenylethanamine IUPAC Name: 4-pentylbenzaldehyde; 2-phenylethanamine Traditional Name: 4-amylbenzaldehyde; phenethylamine Formula: C20H27NO MolecularWeight: 297.43448

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1=CC=C(C=C1)C=O.C1=CC=C(C=C1)CCN

Isomeric SMILES

CCCCCC1=CC=C(C=C1)C=O.C1=CC=C(C=C1)CCN

InChI

InChI=1S/C12H16O.C8H11N/c1-2-3-4-5-11-6-8-12(10-13)9-7-11;9-7-6-8-4-2-1-3-5-8/h6-10H,2-5H2,1H3;1-5H,6-7,9H2