3-(cyclopentyloxy)-2-methylaniline

• ChemBase ID: 270772
• Molecular Formular: C12H17NO
• Molecular Mass: 191.26948
• Monoisotopic Mass: 191.13101417
• SMILES: c1(c(OC2CCCC2)cccc1N)C
• Canonical SMILES: Cc1c(OC2CCCC2)cccc1N
• InChI: InChI=1S/C12H17NO/c1-9-11(13)7-4-8-12(9)14-10-5-2-3-6-10/h4,7-8,10H,2-3,5-6,13H2,1H3
• InChIKey: KBMNYLKZJZHITK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-(cyclopentyloxy)-2-methylaniline
• IUPAC Traditional name: 3-(cyclopentyloxy)-2-methylaniline
• Synonyms: 3-(cyclopentyloxy)-2-methylaniline

Database IDs

• MDL Number: MFCD12170012
• PubChem SID: 164326682
• PubChem CID: 43437901

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 2.842469
• LogD (pH = 7.4): 2.8546147
• Log P: 2.8547719
• Molar Refractivity: 58.676 cm^3
• Polarizability: 22.396433 Å^3
• Polar Surface Area: 35.25 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 2.925

Product Information

• Purity: 95%