[3-(4-methoxyphenyl)propyl](methyl)amine

• ChemBase ID: 262074
• Molecular Formular: C11H17NO
• Molecular Mass: 179.25878
• Monoisotopic Mass: 179.13101417
• SMILES: c1(ccc(cc1)CCCNC)OC
• Canonical SMILES: CNCCCc1ccc(cc1)OC
• InChI: InChI=1S/C11H17NO/c1-12-9-3-4-10-5-7-11(13-2)8-6-10/h5-8,12H,3-4,9H2,1-2H3
• InChIKey: UHXHHIAYNSRNOI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [3-(4-methoxyphenyl)propyl](methyl)amine
• IUPAC Traditional name: [3-(4-methoxyphenyl)propyl](methyl)amine
• Synonyms: [3-(4-methoxyphenyl)propyl](methyl)amine; [3-(4-METHOXY-PHENYL)-PROPYL]-METHYL-AMINE

Database IDs

• CAS Number: 83986-67-8
• MDL Number: MFCD07374124
• PubChem SID: 164317984
• PubChem CID: 3355987

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -1.1227978
• LogD (pH = 7.4): -0.6248829
• Log P: 2.1071532
• Molar Refractivity: 55.1252 cm^3
• Polarizability: 21.682468 Å^3
• Polar Surface Area: 21.26 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 105 - 106°C
• Hydrophobicity(logP): 1.877

Product Information

• Purity: 95%; 98%