[3-(3-methoxyphenyl)propyl](methyl)amine

• ChemBase ID: 808766
• Molecular Formular: C11H17NO
• Molecular Mass: 179.25878
• Monoisotopic Mass: 179.13101417
• SMILES: N(C)CCCc1cc(ccc1)OC
• Canonical SMILES: CNCCCc1cccc(c1)OC
• InChI: InChI=1S/C11H17NO/c1-12-8-4-6-10-5-3-7-11(9-10)13-2/h3,5,7,9,12H,4,6,8H2,1-2H3
• InChIKey: SQLXQPGYVGSFQK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [3-(3-methoxyphenyl)propyl](methyl)amine
• IUPAC Traditional name: [3-(3-methoxyphenyl)propyl](methyl)amine
• Synonyms: [3-(3-METHOXY-PHENYL)-PROPYL]-METHYL-AMINE

Database IDs

• CAS Number: 108447-67-2

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -1.1218745
• LogD (pH = 7.4): -0.6022166
• Log P: 2.1071532
• Molar Refractivity: 55.1252 cm^3
• Polarizability: 21.683144 Å^3
• Polar Surface Area: 21.26 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%