1-(5-butyl-2-oxidanyl-phenyl)-3-methyl-urea; 2-phenylethanamine

Systemtic Name: 1-(5-butyl-2-oxidanyl-phenyl)-3-methyl-urea; 2-phenylethanamine Openeye Name: 1-(5-butyl-2-hydroxy-phenyl)-3-methyl-urea; 2-phenylethanamine CAS Name: 1-(5-butyl-2-hydroxyphenyl)-3-methylurea; 2-phenylethanamine IUPAC Name: 1-(5-butyl-2-hydroxyphenyl)-3-methylurea; 2-phenylethanamine Traditional Name: 1-(5-butyl-2-hydroxy-phenyl)-3-methyl-urea; phenethylamine Formula: C20H29N3O2 MolecularWeight: 343.46316

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC(=C(C=C1)O)NC(=O)NC.C1=CC=C(C=C1)CCN

Isomeric SMILES

CCCCC1=CC(=C(C=C1)O)NC(=O)NC.C1=CC=C(C=C1)CCN

InChI

InChI=1S/C12H18N2O2.C8H11N/c1-3-4-5-9-6-7-11(15)10(8-9)14-12(16)13-2;9-7-6-8-4-2-1-3-5-8/h6-8,15H,3-5H2,1-2H3,(H2,13,14,16);1-5H,6-7,9H2