1-(4-methoxyphenyl)propan-1-amine

• ChemBase ID: 245208
• Molecular Formular: C10H15NO
• Molecular Mass: 165.2322
• Monoisotopic Mass: 165.11536411
• SMILES: c1(ccc(cc1)OC)C(N)CC
• Canonical SMILES: CCC(c1ccc(cc1)OC)N
• InChI: InChI=1S/C10H15NO/c1-3-10(11)8-4-6-9(12-2)7-5-8/h4-7,10H,3,11H2,1-2H3
• InChIKey: WOEIOKRLEJXFEF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(4-methoxyphenyl)propan-1-amine
• IUPAC Traditional name: 1-(4-methoxyphenyl)propan-1-amine
• Synonyms: 1-(4-methoxyphenyl)propan-1-amine; 1-(4-methoxyphenyl)-1-propanamine

Database IDs

• CAS Number: 83948-35-0
• MDL Number: MFCD03180269
• PubChem SID: 164301118
• PubChem CID: 3143287

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -1.1279114
• LogD (pH = 7.4): -0.40128785
• Log P: 1.8804404
• Molar Refractivity: 49.9374 cm^3
• Polarizability: 19.91239 Å^3
• Polar Surface Area: 35.25 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.851

Product Information

• Purity: 95%