[1-(4-methoxyphenyl)cyclopentyl]methanamine

• ChemBase ID: 19220
• Molecular Formular: C13H19NO
• Molecular Mass: 205.29606
• Monoisotopic Mass: 205.14666423
• SMILES: C1(c2ccc(cc2)OC)(CN)CCCC1
• Canonical SMILES: NCC1(CCCC1)c1ccc(cc1)OC
• InChI: InChI=1S/C13H19NO/c1-15-12-6-4-11(5-7-12)13(10-14)8-2-3-9-13/h4-7H,2-3,8-10,14H2,1H3
• InChIKey: WSNHLIUOCLAAMP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [1-(4-methoxyphenyl)cyclopentyl]methanamine
• IUPAC Traditional name: [1-(4-methoxyphenyl)cyclopentyl]methanamine
• Synonyms: 1-[1-(4-methoxyphenyl)cyclopentyl]methanamine; C-[1-(4-Methoxy-phenyl)-cyclopentyl]-methylamine

Database IDs

• CAS Number: 23528-54-3
• MDL Number: MFCD01817110
• PubChem SID: 160982527
• PubChem CID: 745023

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -0.59019786
• LogD (pH = 7.4): 0.34344953
• Log P: 2.3983893
• Molar Refractivity: 62.0191 cm^3
• Polarizability: 24.633234 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