1-(4-methoxyphenyl)pentan-1-amine

• ChemBase ID: 270323
• Molecular Formular: C12H19NO
• Molecular Mass: 193.28536
• Monoisotopic Mass: 193.14666423
• SMILES: c1(ccc(cc1)OC)C(N)CCCC
• Canonical SMILES: CCCCC(c1ccc(cc1)OC)N
• InChI: InChI=1S/C12H19NO/c1-3-4-5-12(13)10-6-8-11(14-2)9-7-10/h6-9,12H,3-5,13H2,1-2H3
• InChIKey: MAQCJIYQOOBEKW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(4-methoxyphenyl)pentan-1-amine
• IUPAC Traditional name: 1-(4-methoxyphenyl)pentan-1-amine
• Synonyms: 1-(4-methoxyphenyl)pentan-1-amine

Database IDs

• MDL Number: MFCD09812086
• PubChem SID: 164326233
• PubChem CID: 13074668

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -0.238318
• LogD (pH = 7.4): 0.4945421
• Log P: 2.7695777
• Molar Refractivity: 59.1394 cm^3
• Polarizability: 23.60508 Å^3
• Polar Surface Area: 35.25 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 2.909

Product Information

• Purity: 95%