3-(cyclopentyloxy)-4-methoxyaniline

• ChemBase ID: 82939
• Molecular Formular: C12H17NO2
• Molecular Mass: 207.26888
• Monoisotopic Mass: 207.12592879
• SMILES: O(c1cc(ccc1OC)N)C1CCCC1
• Canonical SMILES: COc1ccc(cc1OC1CCCC1)N
• InChI: InChI=1S/C12H17NO2/c1-14-11-7-6-9(13)8-12(11)15-10-4-2-3-5-10/h6-8,10H,2-5,13H2,1H3
• InChIKey: RRZIWWXZGHOMDM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-(cyclopentyloxy)-4-methoxyaniline
• IUPAC Traditional name: 3-(cyclopentyloxy)-4-methoxyaniline
• Synonyms: 3-(Cyclopentyloxy)-4-methoxyaniline

Database IDs

• CAS Number: 154464-26-3
• MDL Number: MFCD00219843
• PubChem SID: 162070058
• PubChem CID: 2779334

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 2.1189916
• LogD (pH = 7.4): 2.1828012
• Log P: 2.183679
• Molar Refractivity: 60.098 cm^3
• Polarizability: 23.139921 Å^3
• Polar Surface Area: 44.48 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true