[1-(2-methoxyphenyl)cyclopentyl]methanamine

• ChemBase ID: 76971
• Molecular Formular: C13H19NO
• Molecular Mass: 205.29606
• Monoisotopic Mass: 205.14666423
• SMILES: NCC1(c2ccccc2OC)CCCC1
• Canonical SMILES: NCC1(CCCC1)c1ccccc1OC
• InChI: InChI=1S/C13H19NO/c1-15-12-7-3-2-6-11(12)13(10-14)8-4-5-9-13/h2-3,6-7H,4-5,8-10,14H2,1H3
• InChIKey: SDHQESURORPKBB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [1-(2-methoxyphenyl)cyclopentyl]methanamine
• IUPAC Traditional name: [1-(2-methoxyphenyl)cyclopentyl]methanamine
• Synonyms: [1-(2-methoxyphenyl)cyclopentyl]methanamine; [1-(2-Methoxyphenyl)cyclopentyl]methylamine

Database IDs

• MDL Number: MFCD09261728
• PubChem SID: 162041870
• PubChem CID: 16641707

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -0.58005637
• LogD (pH = 7.4): 0.42797205
• Log P: 2.3983893
• Molar Refractivity: 62.0191 cm^3
• Polarizability: 24.634838 Å^3
• Polar Surface Area: 35.25 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 2.904

Safety Information

• Storage Warning: Irritant

Product Information

• Purity: 95%