2-(cyclopentylmethoxy)aniline

• ChemBase ID: 19498
• Molecular Formular: C12H17NO
• Molecular Mass: 191.26948
• Monoisotopic Mass: 191.13101417
• SMILES: O(c1c(N)cccc1)CC1CCCC1
• Canonical SMILES: Nc1ccccc1OCC1CCCC1
• InChI: InChI=1S/C12H17NO/c13-11-7-3-4-8-12(11)14-9-10-5-1-2-6-10/h3-4,7-8,10H,1-2,5-6,9,13H2
• InChIKey: SKSAVLKFSOXOTH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(cyclopentylmethoxy)aniline
• IUPAC Traditional name: 2-(cyclopentylmethoxy)aniline
• Synonyms: 2-(Cyclopentylmethoxy)aniline

Database IDs

• MDL Number: MFCD08687508
• PubChem SID: 160982805
• PubChem CID: 19754712

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 2.6194756
• LogD (pH = 7.4): 2.6558785
• Log P: 2.6563632
• Molar Refractivity: 58.3656 cm^3
• Polarizability: 22.475552 Å^3
• Polar Surface Area: 35.25 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false